3529-82-6

Name 3-NITROPHENYL ISOTHIOCYANATE
CAS 3529-82-6
EINECS(EC#) 628-314-9
Molecular Formula C7H4N2O2S
MDL Number MFCD00041245
Molecular Weight 180.18
MOL File 3529-82-6.mol
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Chemical Properties

Melting point  57-60 °C(lit.)
Boiling point  277.5°C (rough estimate)
density  1.4360 (rough estimate)
refractive index  1.6000 (estimate)
storage temp.  2-8°C
Water Solubility  50.45mg/L(25 ºC)
Sensitive  Moisture Sensitive
BRN  2094061
InChI InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H
InChIKey OEZXLKSZOAWNJU-UHFFFAOYSA-N
SMILES C1(N=C=S)=CC=CC([N+]([O-])=O)=C1
CAS DataBase Reference 3529-82-6(CAS DataBase Reference)
EPA Substance Registry System Benzene, 1-isothiocyanato-3-nitro- (3529-82-6)

Safety Data

Hazard Codes  C
Risk Statements 
R34:Causes burns.
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
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 3261 8/PG 3
WGK Germany  3
RTECS  NX9110000
TSCA  Yes
HazardClass  6.1
PackingGroup  II
HS Code  29309090
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Skin Corr. 1B

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