555-21-5

Name p-Nitrophenylacetonitrile
CAS 555-21-5
EINECS(EC#) 209-085-0
Molecular Formula C8H6N2O2
MDL Number MFCD00007372
Molecular Weight 162.15
MOL File 555-21-5.mol
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Chemical Properties

Appearance Cream to yellow crystalline powder
Melting point  113-115 °C(lit.)
Boiling point  195-197 °C (12.0016 mmHg)
density  1.3264 (rough estimate)
refractive index  1.5770 (estimate)
storage temp.  Store below +30°C.
solubility  Solubility Insoluble in water, soluble in ethanol, ether
form  Crystalline Powder
color  Cream to yellow
PH Range Yellow (11.4) to Orange-red (12.9)
Water Solubility  INSOLUBLE
Merck  14,6590
BRN  388442
Exposure limits NIOSH: IDLH 25 mg/m3
Major Application Recording materials, photography, forge-proof security paper
InChI 1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2
InChIKey PXNJGLAVKOXITN-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1ccc(CC#N)cc1
CAS DataBase Reference 555-21-5(CAS DataBase Reference)
NIST Chemistry Reference Benzeneacetonitrile, 4-nitro-(555-21-5)
EPA Substance Registry System 555-21-5(EPA Substance)
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Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Exclamation Mark (GHS07)
GHS06,GHS07
Signal word  Danger
Hazard statements  H301+H311+H331-H315-H319-H302-H312-H332
Precautionary statements  P280h-P309-P310-P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Hazard Codes  Xn
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S14:Keep away from ... (incompatible materials to be indicated by the manufacturer) .
S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  3439
WGK Germany  3
RTECS  AM1250000
TSCA  Yes
HazardClass  6.1
PackingGroup  III
HS Code  29269095
Storage Class 11 - Combustible Solids
Toxicity
LD50 ivn-mus: 32 mg/kg CSLNX* NX#02093

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