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538-28-3

Supplier Related Products Identification Chemical Properties Safety Data Raw materials And Preparation Products Material Safety Data Sheet(MSDS) Hazard Information Spectrum Detail Well-known Reagent Company Product Information

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Identification

Name
2-Benzyl-2-thiopseudourea hydrochloride
CAS
538-28-3
Synonyms
2-BENZYL-2-THIOPSEUDOUREA, HCL
2-BENZYL-2-THIOPSEUDOUREA HYDROCHLORIDE
2-BENZYLISOTHIOURONIUM CHLORIDE
AMINO(BENZYLSULFANYL)METHANIMINIUM CHLORIDE
BENZYLISOTHIOUREA HYDROCHLORIDE
BENZYLISOTHIOURONIUM CHLORIDE
BENZYLTHIOURONIUM CHLORIDE
S-BENZYLISOTHIOUREA HYDROCHLORIDE
S-BENZYLISOTHIOURONIUM CHLORIDE
S-BENZYLISOTHIURONIUM CHLORIDE
S-BENZYLTHIOPSEUDOUREA HYDROCHLORIDE
S-BENZYLTHIOURONIUM CHLORIDE
S-BENZYLTHIURONIUM CHLORIDE
SBT
U-19451A
2-benzyl-2-thio-pseudourehydrochloride
2-benzyl-2-thio-pseudouremonohydrochloride
2-thio-2-benzyl-pseudourehydrochloride
Benzyl-iso-thioureahydrochlor
benzyl-isothiouroniumchlorid
EINECS(EC#)
208-688-6
Molecular Formula
C8H11ClN2S
MDL Number
MFCD00012583
Molecular Weight
202.7
MOL File
538-28-3.mol

Chemical Properties

Appearance
off-white to light beige crystalline powder
Melting point 
172-177 °C
mp 
172-177 °C

storage temp. 
Inert atmosphere,Room Temperature
solubility 
methanol: soluble1g/10 mL, clear, colorless to very faintly yellow
Water Solubility 
250 g/L (15 ºC)
Sensitive 
Hygroscopic
Merck 
14,1146
BRN 
3656719
CAS DataBase Reference
538-28-3(CAS DataBase Reference)
EPA Substance Registry System
538-28-3(EPA Substance)

Safety Data

Hazard Codes 
T
Risk Statements 
R25:Toxic if swallowed.
Safety Statements 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
RIDADR 
UN 2811 6.1/PG 2

WGK Germany 
3

RTECS 
UM0738000

TSCA 
Yes
HazardClass 
6.1
PackingGroup 
II
HS Code 
29309070
Toxicity
LD50 oral in rat: 27mg/kg

Raw materials And Preparation Products

Raw materials
Benzyl chloride
Preparation Products
Benzyl mercaptan-->o-methoxycarbonyl benzyl sulfonyl chloride

Material Safety Data Sheet(MSDS)

msds information
2-Benzylisothiouronium chloride(538-28-3).msds

Hazard Information

Chemical Properties
off-white to light beige crystalline powder
Uses
Reagent for cobalt and nickel; identification and separation of carboxylic, sulfinic, and sulfonic acid.
General Description
S-benzylisothiourea analogs (2-benzyl-2-thiopseudourea hydrochloride), as small-molecule inhibitors of indoleamine-2,3-dioxygenase, has been studied.

Safety Profile
Poison by ingestion,intraperitoneal, subcutaneous, and intravenous routes.When heated to decomposition it emits very toxic fumesof HCl, SOx, and NOx.
Purification Methods
Crystallise the chloride from 0.2M HCl (2mL/g) or EtOH and it dry in air. [Beilstein 6 III 1600.]

Spectrum Detail

Spectrum Detail
2-Benzyl-2-thiopseudourea hydrochloride(538-28-3)MS
2-Benzyl-2-thiopseudourea hydrochloride(538-28-3)1HNMR
2-Benzyl-2-thiopseudourea hydrochloride(538-28-3)13CNMR
2-Benzyl-2-thiopseudourea hydrochloride(538-28-3)IR1
2-Benzyl-2-thiopseudourea hydrochloride(538-28-3)IR2

Well-known Reagent Company Product Information

Acros Organics
2-Benzyl-2-thiopseudourea hydrochloride, 99%(538-28-3)
Alfa Aesar
S-Benzylisothiouronium chloride, 98+%(538-28-3)
Sigma Aldrich
538-28-3(sigmaaldrich)
TCI AMERICA
S-Benzylisothiourea Hydrochloride,>99.0%(T)(538-28-3)
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