Catalog Number
ACMA00017310
Product Name
Benzoyl Chloride
Description
Benzoyl chloride appears as a colorless fuming liquid with a pungent odor. Flash point 162°F. Lachrymator, irritating to skin and eyes. Corrosive to metals and tissue. Density 10.2 lb / gal. Used in medicine and in the manufacture of other chemicals.;Liquid;FUMING COLOURLESS LIQUID WITH PUNGENT ODOUR.;A colorless fuming liquid with a pungent odor.
IUPAC Name
benzoyl chloride
Molecular Weight
140.56g/mol
Molecular Formula
C7H5ClO;C6H5COCl;C6H5COCl;C7H5ClO
Canonical SMILES
C1=CC=C(C=C1)C(=O)Cl
InChI
InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChI Key
PASDCCFISLVPSO-UHFFFAOYSA-N
Boiling Point
387 °F at 760 mm Hg (NTP, 1992);197.2 °C;201 °C;197.2 °C;387°F
Melting Point
30.2 °F (NTP, 1992);-1.0 °C;-0.5 °C;-1 °C;30.2°F
Flash Point
162 °F (NTP, 1992);72 °C (162 °F) - closed cup;162 °F (72 °C)(open cup);68 °C (closed cup);72 °C c.c.;162°F
Density
1.211 at 77 °F (USCG, 1999);1.2070 at 25 °C/4 °C;Relative density (water = 1): 1.21;1.211
Solubility
Decomposes (NTP, 1992);In water, 1.05X10+4 mg/L at 25 °C (est);Decomposed by water, alcohol;Miscible with ethyl ether; soluble in benzene, carbon tetrachloride, carbon disulfide;Miscible with ether, benzene, carbon disulfide, oils;Soluble in ether and carbon disulfide;Solubility in water: reaction
Color/Form
Liquid;Transparent, colorless liquid;Colorless, fuming liquid;Colorless to slightly yellow liquid
Corrosivity
Slow corrosion of metals
Covalently-Bonded Unit Count
1
Exact Mass
140.002893g/mol
Heat of Vaporization
11,438.0 gcal/gmol
Log P
log Kow = 1.44 (est)
MeSH Entry Terms
benzoyl chloride
Monoisotopic Mass
140.002893g/mol
Odor
Penetrating odor;Fuming pungent;Pungent, aromatic
Other Experimental
BP: 197.2 °C at 760 mm Hg;Decomposes in water;Dipole moment: 3.28 debyes;VP: 1 mm Hg at 32.1 °C;Henry's Law constant = 1.32X10-4 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.78X10-12 cu cm/mole-sec at 25 °C (est)
Refractive Index
Index of refraction: 1.5537 at 20 °C/D
Stability
Stable under recommended storage conditions.
UN Number
1736;1736;1736;1736
Vapor Density
4.88 (NTP, 1992) (Relative to Air);4.88 (Air = 1);Relative vapor density (air = 1): 4.88;4.88
Vapor Pressure
0.4 mm Hg at 68 °F ; 1 mm Hg at 89.8° F (NTP, 1992);0.70 mmHg;0.700 mm Hg at 25 °C, extrapolated;Vapor pressure, Pa at 20 °C: 50;0.4 mmHg
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