AG003L97

6068-72-0 | 4-Cyanobenzoyl chloride

AG003L97

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CAS Number	6068-72-0
Catalog Number	AG003L97(AGN-PC-0JLSHF)
Chemical Name	4-Cyanobenzoyl chloride
EC Number	228-005-5
IUPAC Name	4-cyanobenzoyl chloride
InChI	InChI=1S/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H
InChI Key	USEDMAWWQDFMFY-UHFFFAOYSA-N
MDL Number	MFCD00001822
Molecular Formula	C8H4ClNO
Molecular Weight	165.5765
SMILES	O=C(Cl)C1=CC=C(C#N)C=C1
UNII	2577FDE7A8
Synonyms	4-Cyanobenzoyl chloride, 6068-72-0, 4-Cyanobenzoylchloride, 4-Cyano-benzoyl chloride, p-CYANOBENZOYL CHLORIDE, UNII-2577FDE7A8, Benzoyl chloride, 4-cyano-, 4-(Chlorocarbonyl)benzonitrile, 4-Cyanobenzoyl chloride, 98%, 2577FDE7A8, MFCD00001822, EINECS 228-005-5, 4cyanobenzoyl chloride, 4-cyano-benzoylchloride, 4-cyanobenzoyl-chloride, 4-cyanpbenzoyl chloride, ACMC-209mlh, AC1L2YWP, Para-cyanobenzoyl chloride, AC1Q3G5J, AC1Q4RD8, SCHEMBL1950, 4-cyanobenzoic acid chloride, CTK2F8738, KS-00000UWB, DTXSID80209493, USEDMAWWQDFMFY-UHFFFAOYSA-N, CS-M3566, STR02292, ZINC2140882, ANW-33555, SBB059843, AKOS008901131, MCULE-4654295381, VZ28902, AK324965, BC224844, CJ-07754, CJ-32884, P243, SC-46477, DB-053689, TC-010455, FT-0618300, ST51046108, M-2926, 23321-EP2308858A1, 23321-EP2311816A1, 23321-EP2311817A1, 23321-EP2314584A1, 068C720, I01-5973, F2146-0388, C8H4ClNO, 4-Cyano benzoylchloride, C8-H4-Cl-N-O, CID80172, AR-1G2011, c1182, ZINC02140882, 4-Cyanobenzoyl chloride, 97% - 25G 25g, 62462-38-8,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.998g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.576g/mol
Monoisotopic Mass	164.998g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H317-H319
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

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