2131-59-1

Name 3-BROMOPHENYL ISOTHIOCYANATE
CAS 2131-59-1
EINECS(EC#) 210-753-9
Molecular Formula C7H4BrNS
MDL Number MFCD00004803
Molecular Weight 214.08
MOL File 2131-59-1.mol
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Chemical Properties

Appearance yellow liquid after melting
Melting point  26 °C
Boiling point  256 °C
density  1.50
refractive index  1.685
Fp  >110°C
form  powder to crystal
color  White to Almost white
Water Solubility  24.41mg/L(25 ºC)
Sensitive  Moisture Sensitive
BRN  2081173
InChI 1S/C7H4BrNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey ZMGMGHNOACSMQN-UHFFFAOYSA-N
SMILES Brc1cccc(c1)N=C=S
CAS DataBase Reference 2131-59-1(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn,C
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R42:May cause sensitization by inhalation.
Safety Statements 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
S22:Do not breathe dust .
RIDADR  2810
WGK Germany  3
RTECS  NX8350000
HazardClass  6.1
PackingGroup  III
HS Code  29309099
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
STOT SE 3
Toxicity
mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01285,

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