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3,5-Dinitrobenzotrifluoride

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3,5-Dinitrobenzotrifluoride / CAS : 401-99-0

Appearance Light yellow crystalline powder UN 0.0
HS 29049090 DG Class 0.0
Synonyms 3,5-Dinitro-Trifluorotoluene; 3,5-Dinitro-Benzotrifluoride; 3,5-Dinitrobenzotrif; 3,5-Dinitro-α,α,α-Trifluorotoluene; 3-Nitro-5-Trifluoromethylnitrobenzeneradical; Benzene, 1,3-Dinitro-5-(Trifluoromethyl)-; Alpha,Alpha,Alpha-Trifluoro-3,5-Dinitrotoluene
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Properties

Summary

Formula
C7H3F3N2O4
Molecular Mass
236.10500
Exact Mass
236.00400
PSA
91.64000
Logp
3.56820
IUPAC
1,3-dinitro-5-(trifluoromethyl)benzene
SMILES
C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
47-51 °C(lit.)
Density
1.61g/cm3
Boiling Point
127-129 °C (9 mmHg)
Flash Point
>110°C
Appearance
Light yellow crystalline powder

Export information

HS Code
29049090
Export Rebate
13%
UN No.
0.0
DG-Class
0.0
Risk Code
R36/37/38
Safety Label
Xi

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