31938-07-5

Name 3-Bromophenylacetonitrile
CAS 31938-07-5
EINECS(EC#) 250-867-6
Molecular Formula C8H6BrN
MDL Number MFCD00001906
Molecular Weight 196.04
MOL File 31938-07-5.mol

Chemical Properties

Appearance Light yellow low melting crystalline solid
Melting point  27-28 °C (lit.)
Boiling point  145-147 °C/10 mmHg (lit.)
density  1.5466 (rough estimate)
refractive index  1.5700
Fp  >110°C
storage temp.  Sealed in dry,Room Temperature
form  liquid
color  Colourless
BRN  2355439
Exposure limits NIOSH: IDLH 25 mg/m3
InChI InChI=1S/C8H6BrN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2
InChIKey UUZYFBXKWIQKTF-UHFFFAOYSA-N
SMILES C1(CC#N)=CC=CC(Br)=C1
LogP 2.220 (est)
CAS DataBase Reference 31938-07-5(CAS DataBase Reference)
EPA Substance Registry System 31938-07-5(EPA Substance)

Safety Data

Hazard Codes  Xn,Xi
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 .
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 .
S36:Wear suitable protective clothing .
RIDADR  3449
WGK Germany  3
RTECS  AL8060000
Hazard Note  Irritant
HazardClass  6.1
PackingGroup  I
HS Code  29269090
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Material Safety Data Sheet(MSDS)

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