Benzoyl Cyanide

CAT: 1299-RG-P022793-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-P022793-01Size:10 mg

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CAS Number

613-90-1

Synonyms

Benzoyl cyanide

Molecular Formula

C8H5NO

Molecular Weight

131.13

Product Name Synonym

Benzoyl cyanide

Chemical Information

Phenylglyoxylonitrile

Benzoyl cyanide is an alpha-ketonitrile and an aromatic ketone. It is functionally related to a benzoic acid.

CAS Number	613-90-1
PubChem CID	11953
IUPAC Name	benzoyl cyanide
Molecular Formula	C8H5NO
Molecular Weight	131.13
XLogP	1.9
Topological Polar Surface Area	40.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	171

SMILES

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

InChI

InChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H

InChIKey

GJQBHOAJJGIPRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 613-90-1

CID: 11953

Formula: C8H5NO

MW: 131.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	131.13
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	131.037113783
Monoisotopic Mass	131.037113783
Topological Polar Surface Area	40.9 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	171
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-P022858-01	2-methylbenzoyl cyanide
RG-A262050-01	Benzoyl Isothiocyanate
RG-B120100-01	Benzoyl Chloride
RM-B270400-01	Benzoyl Ecgonine
RG-P022657-01	Benzoyl-L-Cysteine
RG-T180995-01	4- (Trichloromethyl) Benzoyl Chloride
RG-A262518-01	Benzoyl 3-Chlorobenzoyl Peroxide
RG-A262519-01	Benzoyl 4-Chlorobenzoyl Peroxide
RG-A262092-01	4- (Chloromethyl) Benzoyl Chloride
RG-A262080-01	Benzoyl Chloride- (Phenyl-13C6)

Catalog	Name
TRC-B130375-10G	Benzoyl Cyanide
B04750-01	Benzoyl cyanide 98%
PC107458	4- (Trifluoromethyl) benzoyl cyanide
EHA61225-01	4- (tert-Butyl) benzoyl cyanide
HY-D0061	4- (7-Diethylaminocoumarin-3-yl) benzoyl cyanide
MT06417-01	2,3,5-Tri-O-benzoyl-β-D-ribofuranosyl cyanide
294822-01	2,3,5-Tri-O-benzoyl-b-D-ribofuranosyl cyanide
MT00729-01	2,3,4,6-Tetra-O-benzoyl-b-D-glucopyranosyl cyanide
MT04516	2,3,4,6-Tetra-O-benzoyl-b-D-galactopyranosyl cyanide
467741-01	Tosyl Cyanide