Isothiocyanatobenzene 异硫氰酸苯酯

CAS 103-72-0 MFCD00004798

化学结构图

103-72-0
SMILES: S=C=NC1CCCCC1

化学属性

Mol. FormulaC7
Mol. Weight135
Density1.132
Refractive index1.6480 to 1.6530
Boiling Point71°C/1mmHg(lit.)
Melting Point-21
Flash Point88°C(lit.)
TSCAYes
Solubility不溶于水,溶于醇、醚。
Stability对湿度敏感
Appearance liquid

别名和识别编码

Chemical NameIsothiocyanatobenzene
CAS Number103-72-0
EC Number203-138-1
Beilstein Registry Number12(3)908
MDL NumberMFCD00004798
Synonym PHENYL ISOTHIOCYANATE PHENYL ISOTHIOCYANATE PROTEIN SEQUENCING REAGENT Usaf m-4 Benzene-1-isothiocyanate THIOCARBANIL 苯異琉氰酸 Phenyl mustard oil 异硫氰酸苯酯/PITC Isothiocyansäurephenylester Phenythiocyanat Thiocarbanil PIT isothiocyanato-benzen iso-Thiocyana-tobenaene 苯基芥子油异硫氰酸苯酯 Phenyl isothiocyanate Phenyl mustard oil AKOS BBS-00004438 ISOTHIOCYANIC ACID PHENYL ESTER EDMAN'S REAGENT 硫代异氰酸苯酯 Benzene,isothiocyanato- Phenylsenfoel Phenyl isothiocyanate PTC PITC 苯基异硫氰酸酯 isothiocyanato-Benzene 异硫氰
PubChem Substance ID87571572
Merck Number7297
Reaxys-RN471392
Chemical Name Translation异硫氰酸苯酯
Wiswesser Line NotationSCNR
LabNetwork Molecule IDLN00195593
InChIInChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {SNA} Amino Acid Analysis, Derivatization Reagents, Derivatization Reagents HPLC,
  • {SNA} Amino Acid Analysis, Analytical Reagents, Analytical/Chromatography, Biochemicals and Reagents, Derivatization Reagents, Derivatization Reagents HPLC, Detection Products for Amino Acid Analysis, Peptide Analysis and Characterization, Peptides,

产品应用

  • 有机分析检定伯胺和腈类。肽顺序研究。用于制药工业和有机合成。色谱衍生化试剂

相关文献及参考

  • Short: II/19b
  • Short: II/19c
  • Short: II/14a
  • Derivatizing agent for amino groups. Introduced by Edman for the determination of amino acid sequence by conversion to the thiourea, acid cleavage of the peptide bond and alkaline hydrolysis of the derived thiohydantoin: Acta Chem. Scand., 4, 277 (1950); Arkiv. Kemi., 14, 291 (1959). The thiourea can also be cleaved with TFA: Nature, 227, 716 (1970), or by peracid oxidation: Chem. Ber., 89, 2288 (1956).
  • Merck:14,7297
  • Merck:14,7297 Beilstein: 12,IV,867
  • For general reactions of isothiocyanates, see Appendix 3.

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • 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);
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label where possible 吞食后不要催吐:立即求医并出示该容器或标签;
  • S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时,佩带适当的呼吸器;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R42/43
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • R11 Highly flammable 非常易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R67 Vapours may cause drowsiness and dizziness 蒸汽可能导致嗜睡和昏厥
  • R51/53
  • R65 Harmful: may cause lung damage if swallowed 若吞咽可能伤害肺部器官
  • R38 Irritating to skin 刺激皮肤
  • R25 Toxic if swallowed 吞咽有毒
  • R22 Harmful if swallowed 吞咽有害
  • R50/53
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/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。
  • 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+P310
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P305+
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H227 Combustible liquid 可燃液体
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSNX9275000
Packing GroupII
UN Number 1693 2922 UN 1993 3/PG 2 UN2927
Storage condition 0-10 0-10°C 2-8°C Moisture Sensitive 储存温度2-8℃ 需2-8°C 保存
Hazard Codes T,N F,Xn,N T,N,Xn,F
Hazard Class8/6.1
Warnings 危化品目录(2015)
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 150 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 16,870,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 87 mg/kg
TOXIC EFFECTS :
   Kidney, Ureter, Bladder - urine volume increased
REFERENCE :
   AGACBH Agents and Actions, A Swiss Journal of Pharmacology.  (Birkhaeuser
   Verlag, POB 133, CH-4010 Basel, Switzerland)  V.1-    1969/70-
   Volume(issue)/page/year: 8,610,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 5,505,1955

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Administration onto the skin
TEST SYSTEM             : Mammal - species unspecified
DOSE/DURATION           : 800 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 300,111,1993

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Administration onto the skin
TEST SYSTEM             : Mammal - species unspecified
DOSE/DURATION           : 800 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 300,111,1993

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 225 mg/kg
SEX/DURATION            : female 6-14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - extra-embryonic structures
   (e.g., placenta, umbilical cord)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB223-160

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 225 mg/kg
SEX/DURATION            : female 6-14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
   Reproductive - Specific Developmental Abnormalities - eye/ear
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB223-160

Restrict 危险品

其他信息

  • 下游产品:5-疏基-1-苯基-四氮唑
  • 用途一:是常见的有机合成原料
  • 用途二:用于制药工业和有机合成。
  • 有刺激性气味。对湿敏感。能随水蒸气挥发而不分解。溶于乙醇、乙醚和其他有机溶剂,不溶于水。有毒,半数致死量(小鼠,经
  • 灭火剂:干粉、泡沫、二氧化碳、砂土。(禁用酸碱灭火剂)。
  • 类别:有毒物品
  • Alfa Aesar:异硫氰酸苯酯,97% Phenyl isothiocyanate, 97%(103
  • 方法一:由二苯硫脲与盐酸反应而得。将二苯硫脲加入盐酸中加热溶解,蒸馏出生成的异硫氰酸苯酯,在馏出的油状物中,加入等体积水洗,分出水层,再用稀碱液洗涤。经大量水洗后,用无水氯化钙干燥,收集120-121℃(4.66kPa),即为成品。
  • Sigma Aldrich:103-72-0(sigmaaldrich)
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
  • 上游原料:无水氯化钙 --> N,N'-二苯基硫脲
  • 可燃性危险特性:明火可燃;高热分解;遇酸放出氰化物及氧化硫气体
  • 用途三:有机分析检定伯胺和腈类。肽顺序研究。用于制药工业和有机合成。
  • MSDS 信息:异硫氰酸苯酯(103-72-0).msds
  • 外观性质:无色或淡黄色液体,有强烈刺激性气味。
  • 有刺激性气味。对湿敏感。能随水蒸气挥发而不分解。溶于乙醇、乙醚和其他有机溶剂,不溶于水。有毒
  • TCI Shanghai:异硫氰酸苯酯[用于高效液相色谱标记] Phenyl Isothiocyanate [for HPLC Labeling],>;99.0%(GC)(103-72-0)
  • MOL 文件:103-72-0.mol
  • F:19
  • 急性
  • 毒性分级:高毒
  • Acros Organics:异硫氰酸苯酯 Phenyl isothiocyanate, sequenation grade, 99%(103-72-0)
  • 图谱信息:硫代异氰酸苯酯 (103-72-0)红外图谱(IR1) 硫代异氰酸苯酯 (103-72-0)核磁图( 13 CNMR) 硫代异氰酸苯酯 (103-72-0)核磁图( 1 HNMR) 硫代异氰酸苯酯 (103-72-0)质谱(MS)

系列性分类