AG003S6G

1711-06-4 | Benzoyl chloride, 3-​methyl-

AG003S6G

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CAS Number	1711-06-4
Catalog Number	AG003S6G(AGN-PC-0JLBKP)
Chemical Name	Benzoyl chloride, 3-​methyl-
EC Number	216-976-8
IUPAC Name	3-methylbenzoyl chloride
InChI	InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChI Key	YHOYYHYBFSYOSQ-UHFFFAOYSA-N
MDL Number	MFCD00000681
Molecular Formula	C8H7ClO
Molecular Weight	154.5936
NSC Number	97207
SMILES	C(=O)(Cl)c1cc(C)ccc1
UNII	W2VJW4350K
Synonyms	3-Methylbenzoyl chloride, m-Toluoyl chloride, 1711-06-4, m-Methylbenzoyl chloride, 3-Toluoyl chloride, Toluoyl chloride, m-Toluyl chloride, Benzoyl chloride, 3-methyl-, Meta methyl benzoyl chloride, 3-Methylbenzoylchloride, 3-toluoylchloride, UNII-W2VJW4350K, EINECS 216-976-8, NSC 97207, 3-Methyl-Benzoyl Chloride, m-Toluoyl chloride, 99%, BRN 0878419, 3-methylbenzoic acid chloride, W2VJW4350K, YHOYYHYBFSYOSQ-UHFFFAOYSA-N, MFCD00000681, CCRIS 8619, m-toluoyl-chloride, 3-toluoyl-chloride, meta-toluoyl chloride, m-Toluic acid chloride, 3-methyl-benzoylchlorid, PubChem15456, AC1L2LRX, m-toluenecarbonyl chloride, ACMC-1BS72, SCHEMBL103438, AC1Q2N73, DTXSID0061905, CTK3J1151, KS-00000X9E, NSC97207, ZINC1627231, ANW-22501, NSC-97207, SBB058758, STL183343, AKOS009158375, AM82911, AS01364, FS-4487, MCULE-8203384532, RP21898, TRA0026337, AK550097, AN-49747, CJ-26228, LS-42607, SC-77624, DB-043853, RT-003611, FT-0629018, FT-0652555, ST51037910, 3-Methylbenzoyl chloride, m-Methylbenzoyl chloride, A811288, I01-4000, I01-7136, Q-200389, F2190-0040, InChI=1/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H, Toluoylchloride, 3-Methyl-3-oxetanemethanol, C8-H7-Cl-O, M-METHYL BENZOYL CHLORIDE, CID74375, Benzoyl chloride, 3-methyl- (9CI), T0309, 4-09-00-01716 (Beilstein Handbook Reference), m-Toluoyl chloride, 98.5% - 100G 100g,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.019g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	154.593g/mol
Monoisotopic Mass	154.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

Lot Number