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Benzoyl Chloride

CAT: 1299-RG-B120100-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-B120100-01Size:10 mg
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CAS Number
98-88-4
Synonyms
Benzoyl chloride
Molecular Formula
C7H5ClO
Molecular Weight
140.57
Target Alternative Name
Benzoic Acid
Product Name Synonym
Benzoyl chloride

Chemical Information

Benzoyl chloride

Benzoyl chloride is an acyl chloride consisting of benzene in which a hydrogen is replaced by an acyl chloride group. It is an important chemical intermediate for the manufacture of other chemicals, dyes, perfumes, herbicides and pharmaceuticals. It has a role as a carcinogenic agent. It is a member of benzenes and an acyl chloride. It is functionally related to a benzoic acid.

CAS Number98-88-4
PubChem CID7412
IUPAC Namebenzoyl chloride
Molecular FormulaC7H5ClO
Molecular Weight140.56
XLogP2.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity105
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
InChIKey
PASDCCFISLVPSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoyl chloride
CAS: 98-88-4
CID: 7412
Formula: C7H5ClO
MW: 140.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.56
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass140.0028925
Monoisotopic Mass140.0028925
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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