2-Methylbenzonitrile
Quantity
Unit
CAS #
529-19-1
PRODUCT
SYNONYM
AI3-17128; 2-Methylbenzenecarbonitrile; CCRIS 1286; 2-Toluenkarbonitril [Czech]; o-toluenecarbonitrile; o-Tolylnitrile; ortho-Tolunitrile; UNII-3048F2A3KT; o-Tolunitrile; 2-methyl-benzonitril; 2-Tolunitrile; Benzonitrile, 2-methyl-; 1-Methyl-2-cyanobenzene; o-Toluonitrile; 2-Toluenkarbonitril; 2-Methylbenzonitrile; o-Methylbenzonitrile; benzonitrile,2-methyl-; o-Toluic nitrile; NSC 66549; EINECS 208-451-7; 2-Cyanotoluene; 1-Cyano-2-methylbenzene; o-Cyanotoluene; o-Methylcyanobenzene
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FORMULA
C8H7N
MOLECULAR WEIGHT
117.15
EINECS
208-451-7
SMILES
c1(c(cccc1)C)C#N
INCHI
1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
INCHIKEY
NWPNXBQSRGKSJB-UHFFFAOYSA-N
ATMOSPHERIC OH RATE CONSTANT
1.03E-12 cm3/molecule-sec
LOG P (OCTANOL-WATER)
2.21
BOILING POINT
205 ° C
HENRY'S LAW CONSTANT
5.74E-05 atm-m3/mole
WATER SOLUBILITY
724 mg/L
MELTING POINT
-1.35E+01 ° C
FLASH POINT
184 °F
<0.1 g/100 mL at 17 ºC
DENSITY
0.989 g/mL at 25 °C
REFRACTIVE INDEX
1.5279
MERCK
14,9537
-13 °C
205 °C
CLASS
Specialty Chemicals
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