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1-Bromo-2-Methyl-3-Nitro-5-(Trifluoromethyl)Benzene
[CAS# 239079-89-1]

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Identification
Name 1-Bromo-2-Methyl-3-Nitro-5-(Trifluoromethyl)Benzene
Synonyms 2-BROMO-6-NITRO-4-TRIFLUOROMETHYLTOLUENE; BENZENE,1-BROMO-2-METHYL-3-NITRO-5-(TRIFLUOROMETHYL)-
Molecular Structure CAS#: 239079-89-1, 1-Bromo-2-Methyl-3-Nitro-5-(Trifluoromethyl)Benzene
Molecular Formula C8H5BrF3NO2
Molecular Weight 284.03
CAS Registry Number 239079-89-1
SMILES CC1=C(C=C(C=C1Br)C(F)(F)F)[N+](=O)[O-]
InChI 1S/C8H5BrF3NO2/c1-4-6(9)2-5(8(10,11)12)3-7(4)13(14)15/h2-3H,1H3
InChIKey RZPBXYJIVKCICH-UHFFFAOYSA-N
Properties
Density 1.7±0.1g/cm3 (Cal.)
Boiling point 239.9±35.0°C at 760 mmHg (Cal.)
Flash point 98.9±25.9°C (Cal.)
Refractive index 1.513 (Cal.)
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