1-Nitrohexane
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Product Description
Product
1-Nitrohexane
CAS
646-14-0
Formula
C6H13NO2
Synonym
1-NITROHEXANE; 1-Nitrohexane 98%; 1-NITROHEXANE, STANDARD FOR GC; CCRIS 6262; EINECS 211-467-7; Hexane, 1-nitro-; Nitrohexane; UNII-18XLQ74WTH
Typical Product Specifications
Molecular weight
131.17
EINECS
211-467-7
SMILES
C(C[N+](=O)[O-])CCCC
InChI
1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3
InChIKey
FEYJIFXFOHFGCC-UHFFFAOYSA-N
log P (octanol-water)
2.7
Water solubility
183 mg/L
Henry's Law Constant
1.74E-04 atm-m3/mole
Boiling Point
193 ° C
Vapor Pressure
0.900 mm Hg
Atmospheric OH Rate Constant
4.43E-12 cm3/molecule-sec
Class
1-Nitrohexane
Product Description
Product
1-Nitrohexane
CAS
646-14-0
Formula
C6H13NO2
Synonym
1-NITROHEXANE; 1-Nitrohexane 98%; 1-NITROHEXANE, STANDARD FOR GC; CCRIS 6262; EINECS 211-467-7; Hexane, 1-nitro-; Nitrohexane; UNII-18XLQ74WTH
Typical Product Specifications
Molecular weight
131.17
EINECS
211-467-7
SMILES
C(C[N+](=O)[O-])CCCC
InChI
1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3
InChIKey
FEYJIFXFOHFGCC-UHFFFAOYSA-N
log P (octanol-water)
2.7
Water solubility
183 mg/L
Henry's Law Constant
1.74E-04 atm-m3/mole
Boiling Point
193 ° C
Vapor Pressure
0.900 mm Hg
Atmospheric OH Rate Constant
4.43E-12 cm3/molecule-sec
Class
