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5460-31-1

Name 2-Methyl-3-nitrophenol
CAS 5460-31-1
EINECS(EC#) 226-739-0
Molecular Formula C7H7NO3
MDL Number MFCD00007241
Molecular Weight 153.14
MOL File 5460-31-1.mol
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Chemical Properties

Appearance Yellow to brown crystalline powder
Melting point  146-148 °C (lit.)
Boiling point  147.0-152.0°C
density  1.2744 (estimate)
refractive index  1.5744 (estimate)
storage temp.  Inert atmosphere,Room Temperature
solubility  95% ethanol: soluble50mg/mL
form  powder to crystal
pka 9.11±0.25(Predicted)
color  Light yellow to Brown to Dark green
BRN  1946057
InChI InChI=1S/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3
InChIKey GAKLFAZBKQGUBO-UHFFFAOYSA-N
SMILES C1(O)=CC=CC([N+]([O-])=O)=C1C
CAS DataBase Reference 5460-31-1(CAS DataBase Reference)
NIST Chemistry Reference 3-Nitro-o-cresol(5460-31-1)

Safety Data

Hazard Codes  Xn,Xi
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 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
RIDADR  UN 2446 6.1/PG 3
WGK Germany  3
F  10
Hazard Note  Harmful
HazardClass  6.1
PackingGroup  III
HS Code  29089990

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