2-Imidazolidinethione 2-硫醇基咪唑啉

CAS 96-45-7 MFCD00005276

化学结构图

96-45-7
SMILES: S=C1NCCN1

化学属性

Mol. FormulaC3H6N2S
Mol. Weight102.16
Melting Point197-201 °C
Flash Point252 ºC
Solubility19 G/L (20 ºC)
Stability对湿度敏感
Density1.44
Appearance 白色至淡绿色晶体,具有微弱的氨臭。 微溶于冷水,易溶于热水,在室温下微溶于乙醇、甲醇、醋酸和汽油中,不溶于丙酮、乙醚和氯仿中。
Boiling Point148.3 °C at 760 mmHg

别名和识别编码

Chemical Name2-Imidazolidinethione
Synonym Ethylenethiourea {LY} Ethylenethiourea {} {LY} Ethylenethiourea {} {} {LY} Ethylenethiourea {} {} {} {LY} Ethylenethiourea {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethylenethiourea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00005276
PubChem Substance ID87571414
Beilstein Registry Number106275
CAS Number96-45-7
EC Number202-506-9
Reaxys-RN106275
Merck Number3803
Chemical Name Translation2-硫醇基咪唑啉
Wiswesser Line NotationT5MYMTJ BUS
LabNetwork Molecule IDLN00198823
InChIInChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
Canonical SMILESS=C1NCCN1
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分类

  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; 5ring; 1fragment
  • {SNA} Biochemicals and Reagents, Building Blocks, Chemical Synthesis, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, Organic Building Blocks, P to Q, Peroxidase Inhibitors, Sulfur Compounds, Thioureas
  • {SNA} Bui
  • {SNA} Building Blocks, Chemical Synthesis, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Organic Building Blocks, P to Q, Peroxidase Inhibitors, Sulfur Compounds, Thioureas, 生化试剂, 酶、抑制剂和底物
  • {SNA} All alphabetically sorted, Alphabetical Index of Analytical Standards,

产品应用

  • 硫化促进剂

相关文献及参考

  • Short: III/20a
  • Merck: 14,3803 Beilstein:24,4
  • Short: III/35B
  • Merck: 14,3803

安全信息

RTECSNI9625000
GHS Symbol
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312+P330
  • P302+P352+P333+P313+P362+P364
  • P305+P351+P338+P337+P313
  • P308+P313
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
  • H302 Harmful if swallowed 吞食有害
  • H351 Suspected of causing cancer 怀疑致癌
  • H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
Hazard Codes 6.1 T
WGK Germany3
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Signal word Danger
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S53 Avoid exposure - obtain special instructions before use 避免接触,使用前获得特别指示说明;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R48/23/25
  • R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
Packing GroupIII
UN Number 2811
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard Class6.1(b)
TYPE OF TEST            : TDLo - Lowest pu

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5470 mg/kg/26W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 32(2),25,1988

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 146 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Endocrine - thyroid tumors
REFERENCE :
   EJTXAZ European Journal of Toxicology and Environmental Hygiene.  (Paris,
   Franc

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 77 gm/kg/82W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
   Blood - lymphoma, including Hodgkin's disease
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   42,1101,1969

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 9125 mg/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Endocrine - tumors
   Endocrine - thyroid tumors
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,493,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: A

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1832 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BECTA6 Bulletin of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   07094)  V.1-    1966-  Volume(issue)/page/year: 7,19,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

{hazard_

TYPE OF TEST            : LD50 - Lethal d

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 21,71,1980

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Mold - Aspergillus nidulans
DOSE/DURATION           : 39200 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 172,139,1986

TYPE OF TEST            : Specific locus test
ROUTE OF EXPOSURE       : Multiple routes
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 500 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 395,229,1997

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 300 mg/L
REFERENCE :
   PMRSDJ Progress in Mutation Research.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1981- Volume(issue)/page/year:
   1,502,1981

TYPE OF TEST            : Host-mediated assay
TEST SYSTEM             : Rodent - mouse Bacteria - Salmonella typhimurium
DOSE/DURATION           : 6 gm/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands)

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 200 mg/L
REFERENCE :
   PMRSDJ Progress in Mutation Research.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1981- Volume(issue)/page/year:
   1,

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 20 mg/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 38,122,1976

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 60 mg/kg
SEX/DURATION            : female 13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,273,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 10 mg/kg
SEX/DURATION            : female 17 day(s) after conception
TOXIC EFFEC

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 60 mg/kg
SEX/DURATION            : female 13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 24,131,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 100 mg/kg
SEX/DURATION            : female 13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - gastrointestinal
   system
REFERENCE :
   SEIJBO Senten Ijo.  Congenital Anomalies.  (Nippon Senten Ijo Gakkai, c/o
   Kinki Daigaku Igakubu Kaibagaku Kyoshitsu, 380 Nishiyama, Sayama-cho,
   Mirami-Kawachi-gun, Osaka-fu, Japan) V.1-26, 1960-86. For publisher
   information, see CGANE7.  Volume(issue)/page/year: 18,241,1978

其他信息

  • Sigma Aldrich:96-45-7(sigmaaldrich)
  • 用途二:用作氯丁胶、氯磺化聚乙烯橡胶、氯乙醇橡胶、聚丙烯酸酯橡胶的促进剂
  • 1,2-亚乙基硫脲价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0004 乙烯基硫脲 Ethylenethiourea 500G 726元 2014/06/02 I0004 乙烯基硫脲 Ethylenethiourea 25G 179元 2010/06/21 122030010 1,2-亚乙基硫脲 2-Imidazolidinethione 98% 1 KG 2608元
  • 图谱信息:1,2-亚乙基硫脲(96-45-7)核磁图( 1 HNMR) 1,2-亚乙基硫脲(96-45-7)红外图谱(IR1) 1,2-亚乙基硫脲(96-45-7)核磁图( 13 CNMR) 1,2-亚乙基硫脲(96-45-7)红外图谱(IR2) 1,2-亚乙基硫脲(96-45-7)质谱(MS)
  • 方法一:将24 kg乙二胺,48 kg工业酒精,60 kg蒸馏水依次投入反应釜。搅拌下,缓缓加入32 kg CS 2 ,滴加过程中控制温度在60 ℃左右。加完CS 2 后升温至100 ℃,回流1 h。然后加入3.6 kg浓盐酸回流9~10 h。冷却结晶。吸滤用丙酮洗涤干燥得产品。收率约80%~85%。
  • 方法二:在搪玻璃反应锅内,加入水和乙二胺,降温20℃,加入二硫化碳,控制在35-40℃,反应4小时,升温回收二硫化碳,生成乙烯基二硫代氨基甲酸盐。将乙烯基二硫代氨基甲酸盐冷却至50℃以下,加入盐酸,升温即放出硫化氢,环化生成乙烯硫脲。环化反应时,也可用乙酸代替盐酸进行反应,得到的粗制乙烯硫脲用沸水溶解,过滤,冷却析出结晶,经脱水干燥、粉碎而得成品。(公斤/吨)乙二胺(70%) 740二硫化碳(95%) 1250
  • TCI Shanghai:乙烯基硫脲 Ethylenethiourea,>;98.0%(T)(96-45-7)
  • 上游原料:氢氧化钠 --> 甲醇 --> 三氯氧磷 --> 氮 --> 硫脲 --> 二硫化碳 --> 乙二胺 --> 甲酰胺 --> 浓盐酸 --> 三氯乙烯 --> 搪玻璃反应锅 --> 工业酒精 --> 二硫代氨基甲酸盐
  • 易溶于热水。90℃时,100毫升水中可溶本品44克,但在30℃水中只溶2克。溶于醇、乙二醇和吡啶,不溶于醚、苯、氯仿和石油醚。
  • Acros Organics:2-咪唑啉硫酮/乙烯基硫脲 2-Imidazolidinethione, 98%(96-45-7)
  • MOL 文件:96-45-7.mol
  • 用途四:本品为咪唑啉类硫化促进剂,可用于氯丁橡胶、氯醇橡胶、氯化聚乙烯等,特别适合于作非硫化体系的氯丁胺的安合促进剂。能常在100-500℃下,选用适当的配合体系,就可进行快速的最佳硫化,且操全安全。其硫化制品抗张强度高,永久压缩变形小,用于W型(即54-1型氯丁橡胶)的非硫化体系进效果显著。它通常与氧化锌和氧化镁一起配合使用,主要用于工业制品、被覆电线、鞋衣等氯丁橡胶制品。乙烯硫脲是硫酸铜的辅助光亮剂。本品也用作精细化学的中间体,用于制造抗氧剂、杀虫剂、杀真菌剂、染料、药物和合成树脂。
  • 用途三:用作合成橡胶的促进剂
  • 用途五:本品为咪唑啉类硫化促进剂,可用于氯丁橡胶、氯醇橡胶、氯化聚乙烯等,特别适合于作非硫化体系的氯丁胺的安合促进剂。主要用于工业制品、被覆电线、鞋衣等氯丁橡胶制品。乙烯硫脲是硫酸铜的辅助光亮剂。本品也用作精细化学的中间体,用于制造抗氧剂、杀虫剂、杀真菌剂、染料、药物和合成树脂。
  • 海关编码:29332990
  • MSDS 信息:1,3-Ethylenethiourea(96-45-7).msds
  • 用途一:本品溶于热酒精溶液。用作镀铜光亮剂,常与酸性镀铜光亮剂M,SPS等配合使用

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