Perchloromethyl mercaptan 全氯甲硫醇

CAS 594-42-3 MFCD00037054

化学结构图

594-42-3
SMILES: ClSC(Cl)(Cl)Cl

化学属性

Mol. FormulaC Cl4 S
Mol. Weight185.89
Refractive indexn20/D 1.537(lit.)
Boiling Point146-148 °C(lit.)
Density1.7 g/mL at 25 °C(lit.)
Vapor Density6.41 (vs air)
Vapor Pressure2.02 psi ( 20 °C)
Solubility不溶于水。

别名和识别编码

Chemical NamePerchloromethyl mercaptan
Synonym (Trichloromethane)sulfenyl chloride (Trichloromethyl)sulfenyl chloride Clairsit Mercaptan methylique perchlore Methanesulfenyl chloride, trichloro- PCM PERCHLOROMETHANETHIOL PERCHLOROMETHYL MERCAPTAN PMM Perchlormethylmercaptan Perchlormethylmerkaptan Perchloro(methyl mercaptan) Perchloromethanethiol Perchloromethyl Mercaptan {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number594-42-3
PubChem Substance ID11666
EC Number209-840-4
MDL NumberMFCD00037054
Chemical Name Translation全氯甲硫醇
Wiswesser Line NotationGXGGSG
Beilstein Registry Number0506034
InChIInChI=1S/CCl4S/c2-1(3,4)6-5
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分类

  • Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiols/Mercaptans
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiols/Mercaptans
  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 酰胺类杀菌剂
  • {uni_hamburg} no charge; 1fragment

相关文献及参考

  • Beil. 3 ,135
  • FT-IR 1 (1), 274:D / FT-NMR 1 (1), 440:B / RegBook 1 (1), 291:G / Sax 6 , 2625 / Structure Index 1 , 39:D:6
  • Short: II/25B Title: Structure Data Of Free Polyatomic Molecules: Molecules containing One or Two Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25B Year: 1999 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-63645-5 ISBN: 978-3-540-63645-8 Internet Resource: DOI:10.1007/b68834 RefComment: IX, 512 pages. Hardcover Abstract: Volume II/25 is a supplemented and revised edition of the preceding volumes II/7, II/15, II/21 and II/23 containing up to date information on inorganic and organic polyatomic molecules. All experimental methods for the determination of quantitative structural data of free molecules have been considered: microwave, infrared, Raman, electronic and photoelectron spectroscopy as well as electron diffraction. The data obtained by these methods have been critically evaluated and compiled. They are presented separately for each molecule, together with a schematic figure of the structure and the original literature.
  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New S

安全信息

GHS Symbol
WGK Germany3
Hazard Codes T,T+,N T,N T+
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H301+H311
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H312 Harmful in contact with skin 皮肤接触有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H330 Fatal if inhaled 吸入致命
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSPB0370000
Precautionary statements
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310
  • P301+P316
  • P301+P330+P331
  • P302+P352
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P354+P338
  • P307+P311
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P316
  • P317
  • P319
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗(见本标签上的)。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • 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;
  • 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;
  • 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);
  • S25 Avoid contact with eyes 避免眼睛接触;
  • S7/9 Keep container tightly closed and in a well-ventilated place 保持容器严格密闭,置于通风良好的场所;
  • 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;
  • 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;
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R26 Very toxic by inhalation 吸入极毒
  • R25 Toxic if swallowed 吞咽有毒
  • R21 Harmful in contact with skin 与皮肤接触有害
  • 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
  • R52/53
UN Number 1670 UN 1670 6.1/PG 1
Packing GroupI
Hazard Class6.1(a)
Restrict 剧毒 {} 剧毒化学品
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - hypermotility, diarrhea
   Skin and Appendages - hair
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific &

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 11 ppm/1H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   42,417,1977

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 500 uL/kg
TOXIC EFFECTS :
   Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0533569

TYPE OF TEST            : LD50 - Lethal dose, 50 pe

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#067

Storage condition -20

其他信息

  • 储运特性:库房通风低温干燥; 与食品分开储运
  • 下游产品:硫光气
  • 灭火剂:水, 二氧化碳, 干粉, 砂土
  • 刺激数据:皮肤-兔子 500 毫克/24小时 重度; 眼睛-兔子 0.050 毫克/24小时 重度
  • 上游原料:氯 --> 二硫化碳
  • Sigma Aldrich:594-42-3(sigmaaldrich)
  • 蒸气密度:6.41 (vs air)
  • 类别:有毒物品
  • 急性毒性:口服-大鼠 LD50: 82.6 毫克/公斤; 口服-小鼠 LD50: 400 毫克/公斤
  • Acros Organics:全氯甲基硫醇(禁运) Perchloromethylmercaptan,97%(594-42-3)
  • 方法一:其制备方法是由氯气和二硫化碳在催化剂碘存在下反应,反应温度为10~25℃,可采用连续化反应,但需要有高效的散热装置将反应热移走,得到的粗品经精制得产品。 CS 2 +Cl 2 [I 2 ]→Cl 3 CSCl
  • MOL 文件:594-42-3.mol
  • MSDS 信息:三氯甲基硫酰氯(594-42-3).msds
  • 外观性质:黄色油状液体, 有不愉快的气味。
  • Alfa Aesar:Perchloro(methyl mercaptan), 97%(594-42-3)
  • 用途一:用作有机合成中间体
  • 蒸气压:2.02 psi ( 20 °C)
  • F:13-21
  • 用途三:该品是染料、农药等有机合成的中间体。例如过氯甲硫醇分别与1,2,3,6-四氢苯二甲酰亚胺和邻苯二甲酰亚胺合成即可制农药杀菌剂克菌丹和灭菌丹。
  • 毒性分级:高毒
  • 用途二:三氯硫氯甲烷是杀菌剂克菌丹、灭菌丹等的重要中间体。
  • 可燃性危险特性:可燃; 火场分解有毒氯化氢, 硫氧化物气体
  • 全氯甲硫醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 130030250 全氯甲硫醇 Perchloromethyl mercaptan 97% 25 GR 842元 2010/06/21 130030050 全氯甲硫醇 Perchloromethyl mercaptan 97% 5 GR 264元
  • 方法二:由二硫化碳与氯气在稀盐酸存在下反应而得。氯化反应锅的回流冷冻盐水温度维持在2℃,将12%的盐酸及二硫化碳(mol比为CS2:Cl2=1:5)加入反应锅,同时开动搅拌通氯气,控制氯气流量使反应温度保持在(26±2)℃,通常反应3h,测定氯化液中三氯硫氯甲烷相对密度为1.68以上时,停止通氯和搅拌、静置、分离,即得成品,收率80%-90%。
  • 职业标准:TLV-TWA 0.8 毫克/立方米

系列性分类


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