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99-53-6

Name 2-METHYL-4-NITROPHENOL
CAS 99-53-6
EINECS(EC#) 202-763-7
Molecular Formula C7H7NO3
MDL Number MFCD01734013
Molecular Weight 153.14
MOL File 99-53-6.mol
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Chemical Properties

Melting point  93-98 °C(lit.)
Boiling point  266.03°C (rough estimate)
density  1.2744 (estimate)
refractive index  1.5744 (estimate)
storage temp.  Inert atmosphere,Room Temperature
form  Solid
pka 7.43±0.22(Predicted)
color  Off-White
InChI InChI=1S/C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3
InChIKey KDQPMQNHVQVVMR-UHFFFAOYSA-N
SMILES C1(O)=CC=C([N+]([O-])=O)C=C1C
CAS DataBase Reference 99-53-6(CAS DataBase Reference)
EPA Substance Registry System 99-53-6(EPA Substance)

Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R22:Harmful 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:Wear suitable protective clothing .
RIDADR  UN 2446 6.1/PG 3
WGK Germany  3
RTECS  GP2700000
Hazard Note  Irritant
HazardClass  6.1
PackingGroup  III
HS Code  2908990000
Toxicity
LD50 oral(mouse) 390 mg/kg

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