Benzonitrile

  • Identifiers

    CAS mumber
    100-47-0

    Molecular formula
    C7H5N

    SMILES
    C1=CC=C(C=C1)C#N

    Retention indicies (RI)

    • Carbowax: 1583.0

  • Properties

    XLogP3-AA
    1.6 Well soluble in DEP, MMB, TEC

    Molecular weight
    103.12 g/mol

    Melting points

    • 9 °F (NTP, 1992)
    • -12.82 °C
    • -12.8 °C

    Boiling points

    • 375.3 °F at 760 mmHg (NTP, 1992)
    • 190.7 °C at 760 mm Hg
    • BP: 123.5 °C at 100 mm Hg; 69.2 °C at 10 mm Hg; 28.2 °C at 1 mm Hg
    • 190.7 °C

    Flash points

    • 161 °F (NTP, 1992)
    • 167 °F
    • 70 °C (158 def F) (Closed cup)
    • 75 °C c.c.

    Solubilities

    • 1 to 5 mg/mL at 73 °F (NTP, 1992)
    • In water, 2000 mg/L at 25 °C
    • Miscible with common organic solvents
    • Miscible with ethanol; very soluble in acetone, benzene; soluble in carbon tetrachloride
    • Solubility in water, g/100ml at 22 °C: 0.1-0.5 (poor)

  • Synonyms

    • BENZONITRILE
    • 100-47-0
    • Cyanobenzene
    • Phenyl cyanide
    • Benzenenitrile
    • Benzoic acid nitrile
    • Benzene, cyano-
    • Benzenecarbonitrile
    • Phenylcyanide
    • Fenylkyanid
    • benzonitril
    • Fenylkyanid [Czech]
    • NSC 8039
    • HSDB 45
    • CCRIS 3184
    • AI3-24184
    • UNII-9V9APP5H5S
    • EINECS 202-855-7
    • 9V9APP5H5S
    • UN2224
    • C6H5-CN
    • DTXSID7021491
    • CHEBI:27991
    • NSC-8039
    • MFCD00001770
    • DTXCID001491
    • EC 202-855-7
    • Benzonitrile [UN2224] [Poison]
    • CAS-100-47-0
    • benzo nitrile
    • 4-cyanobenzene
    • benzonitrile solvent
    • WLN: NCR
    • BENZONITRILE [MI]
    • bmse000284
    • BENZONITRILE [HSDB]
    • SCHEMBL6640
    • MLS002454387
    • CHEMBL15819
    • NSC8039
    • Benzonitrile, anhydrous, >=99%
    • HMS3039F17
    • Benzonitrile, for HPLC, 99.9%
    • Tox21_201982
    • Tox21_302979
    • Benzonitrile, ReagentPlus(R), 99%
    • STK398186
    • AKOS000120125
    • FB37895
    • UN 2224
    • NCGC00091747-01
    • NCGC00091747-02
    • NCGC00256387-01
    • NCGC00259531-01
    • LS-13256
    • SMR001372003
    • B0082
    • NS00010846
    • EN300-19362
    • C09814
    • Q412567
    • F1908-0163
    • Z104473628
    • 202-855-7
1 3

Botanical

Name CAS Botanical Proportion
Daylily, Headspace Living Flower 2 Hemerocallis, ssp. Satin Glass, fam. Liliaceae 0.46%