AG000ED5

117500-61-5 | Benzoyl chloride, 3-(dimethylamino)-, hydrochloride (1:1)

AG000ED5

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CAS Number	117500-61-5
Catalog Number	AG000ED5(AGN-PC-03TZPF)
Chemical Name	Benzoyl chloride, 3-(dimethylamino)-, hydrochloride (1:1)
IUPAC Name	3-(dimethylamino)benzoyl chloride;hydrochloride
InChI	InChI=1S/C9H10ClNO.ClH/c1-11(2)8-5-3-4-7(6-8)9(10)12;/h3-6H,1-2H3;1H
InChI Key	NUDQPATXNFWFNK-UHFFFAOYSA-N
MDL Number	MFCD19442144
Molecular Formula	C9H11Cl2NO
Molecular Weight	220.0957
SMILES	O=C(Cl)C1=CC=CC(N(C)C)=C1.[H]Cl
Synonyms	117500-61-5, 3-DIMETHYLAMINOBENZOYL CHLORIDE HYDROCHLORIDE, 3-(Dimethylamino)benzoyl chloride hydrochloride, ACMC-20an50, SCHEMBL219398, CTK8C5943, DTXSID80627916, NUDQPATXNFWFNK-UHFFFAOYSA-N, 3-dimethylaminobenzoyl chloride HCl, MFCD02094023, MFCD19442144, RT-008720, FT-0615607, 3-dimethylamino benzoyl chloride hydrochloride, 3-(dimethylamino)benzoyl chloride;hydrochloride, 3-dimethylamino-benzoyl chloride hydrochloride salt, I14-86345, 3-dimethylaminobenzoyl chloride hydrochloride, AldrichCPR, 3-(Dimethylamino)benzoyl chloride--hydrogen chloride (1/1), Benzoyl chloride, 3-(dimethylamino)-, hydrochloride (1:1),

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.022g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.093g/mol
Monoisotopic Mass	219.022g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number