CAS 538-28-3 MFCD00012583-2-Benzyl-2-thiopseudourea hydrochloride S-苄基硫脲盐酸盐 TAO{mole}

2-Benzyl-2-thiopseudourea hydrochloride S-苄基硫脲盐酸盐

CAS 538-28-3 MFCD00012583

化学结构图

SMILES: Cl.N=C(N)SCc1ccccc1

化学属性

Mol. Formula	C8H11ClN2S
Mol. Weight	202.70
Melting Point	177-179°C
TSCA	Yes
Solubility	250 G/L (15 ºC)
Appearance	白色结晶。熔点172-174℃（亚稳型为146-148℃），溶于水和醇，不溶于醚。
Density	1.422
Stability	易吸潮
Boiling Point	283.2°C at 760 mmHg
Flash Point	125.1°C

别名和识别编码

Chemical Name	2-Benzyl-2-thiopseudourea hydrochloride
MDL Number	MFCD00012583
CAS Number	538-28-3
Synonym	Benzyl carbamimidothioate hydrochloride {LY} Benzyl carbamimidothioate hydrochloride {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl carbamimidothioate hydrochloride {} {} {} {} {} {} {} {} {}
PubChem Substance ID	10852
Beilstein Registry Number	3656719
EC Number	208-688-6
Merck Number	1146
Alfabeta Name	BENZYLIMIDOTHIOCARBAMATEHYDROCHLORIDE
Chemical Name Translation	S-苄基硫脲盐酸盐
Reaxys-RN	3656719
Wiswesser Line Notation	MUYZS1R &GH
LabNetwork Molecule ID	LN00178039
InChI	InChI=1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H
Canonical SMILES	N=C(SCC1=CC=CC=C1)N.Cl

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产品应用

测定钴和镍的试剂，鉴别和分离羧酸、亚磺酸及磺酸，有机微量分析测定氮、硫和氯的标准样品。有机合成中间体。

安全信息

WGK Germany3

GHS Symbol

Precautionary statements

P301+P310+P330
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P501 Dispose of contents/container to..… 处理内容物/容器.....
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338
P405 Store locked up. 上锁保管。
P301+P310
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。

Hazard statements

H300 Fatal if swallowed 吞食致命

RTECSUM0738000

Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Signal word

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）；
S20 When using do not eat or drink 使用时，不得进食，饮水；
S36 Wear suitable protective clothing 穿戴适当的防护服；

Packing GroupII

UN Number

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

Hazard Codes T

Warnings IRRITANT

Hazard Class6.1

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 32 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#00167

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 27 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 27(2),52,1983

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NDRC** National Defense Research Committee, Office of Scientific Research
   and Development, Progress Report.  Volume(issue)/page/year: No.9-4-1-9,1943

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

其他信息

储运特性:通风低温干燥; 与库房食品原料分开存放
MSDS 信息:2-Benzylisothiouronium chloride(538-28-3).msds
上游原料:苄基氯
Acros Organics:苄基异硫脲 2-Benzyl-2-thiopseudourea hydrochloride, 99%(538-28-3)
方法一:由氯苄与硫脲缩合而得。将氯苄、硫脲和乙醇加入反应器中混合，加热回流，反应后脱色过滤，冷却结晶，再用乙醚洗涤，精制而得成品。
灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
类别:有毒物品
MOL 文件:538-28-3.mol
海关编码:29309070
S-苄基硫脲盐酸盐价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 30022580 盐酸-S-苄基异硫脲 10g 145.2元 2011/04/16 B0442 S-苄基异硫脲盐酸盐 S-Benzylisothiourea Hydrochloride 25G 691元 2010/06/21 402171000 S-苄基硫脲盐酸盐 2-Benzyl-2-thiopseudourea hydrochloride 99% 100 GR 983元
图谱信息:S-苄基硫脲盐酸盐(538-28-3)红外图谱(IR2) S-苄基硫脲盐酸盐(538-28-3)红外图谱(IR1) S-苄基硫脲盐酸盐(538-28-3)核磁图( 1 HNMR) S-苄基硫脲盐酸盐(538-28-3)核磁图( 13 CNMR) S-苄基硫脲盐酸盐(538-28-3)质谱(MS)
敏感性:Hygroscopic
下游产品:苄硫醇 --> 邻甲氧基羰基苄磺酰氯
急性毒性:口服-大鼠 LD50: 150 毫克/公斤; 皮下-小鼠 LDL0: 80 毫克/公斤
用途二:测定钴和镍的试剂，鉴别和分离羧酸、亚磺酸及磺酸，有机微量分析测定氮、硫和氯的标准样品。有机合成中间体。
Alfa Aesar:S-苄基氯化异硫脲,98+% S-Benzylisothiouronium chloride, 98+%(538-28-3)
Sigma Aldrich:538-28-3(sigmaaldrich)
可燃性危险特性:可燃; 燃烧产生有毒氮氧化物, 硫氧化物和氯化氢烟雾
毒性分级:高毒
TCI Shanghai:S-苄基异硫脲盐酸盐 S-Benzylisothiourea Hydrochloride,>;99.0%(T)(538-28-3)
能溶于水和醇，不溶于醚，将低熔点的溶于醇中，种入高熔点晶种，可提高其熔点。
用途一:有机合成中间体，分析试剂。