AG0026C2

1788-10-9 | Benzenesulfonyl chloride, 4-​acetyl-

AG0026C2

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CAS Number	1788-10-9
Catalog Number	AG0026C2(AGN-PC-0JNZV7)
Chemical Name	Benzenesulfonyl chloride, 4-​acetyl-
IUPAC Name	4-acetylbenzenesulfonyl chloride
InChI	InChI=1S/C8H7ClO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3
InChI Key	FXVDNCRTKXMSEZ-UHFFFAOYSA-N
MDL Number	MFCD00800269
Molecular Formula	C8H7ClO3S
Molecular Weight	218.6574
NSC Number	104128
SMILES	C(C)(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
Synonyms	4-Acetylbenzenesulfonyl chloride, 1788-10-9, 4-Acetylbenzene-1-sulfonyl chloride, 4-Acetyl-benzenesulfonyl chloride, MFCD00800269, Benzenesulfonyl chloride, 4-acetyl-, Benzenesulfonylchloride, 4-acetyl-, 1-acetyl-4-(chlorosulfonyl)benzene, 4-Acetylbenzenesulfonyl Chloride,98%, 4-Acetylbenzenesulfonyl chloride, 97%, 4-acetylbenzenesulphonyl chloride, NSC104128, AC1Q6YLO, AC1Q1JQ1, ACMC-1BS75, NCIOpen2_007056, KSC183K3B, SCHEMBL343359, 4-AcetylbenzenesulfonylChloride, 4-acetylphenylsulfonyl chloride, AC1L6G19, Jsp003680, 4-acetyl-bezenesulfonyl chloride, p-Acetylbenzenesulphonyl chloride, 4-acetyl benzenesulfonyl chloride, 4-acetylbenzene sulfonyl chloride, CTK0I3530, KS-00000ZKE, DTXSID90295685, FXVDNCRTKXMSEZ-UHFFFAOYSA-N, ALBB-001008, 4-Acetylbenzenesulfonic acid chloride, ANW-74049, BBL013239, SBB005811, STK496055, ZINC95713882, 4-acetylbenzene sulfonic acid chloride, AKOS000264957, MCULE-6446972084, NSC-104128, VZ28164, AM803381, AN-49895, AS-42646, FS000881, L611, SC-91622, AB0014796, DB-037937, ST2405506, TR-008202, BB 0218576, CS-0037766, FT-0633842, ST45212444, EN300-04224, Y-9352, 4-Acetylbenzenesulfonyl chloride, >=95.0% (AT), I01-3316, J-011405, F2167-0057, C8H7ClO3S, p-Acetylbenzolsulfonylchlorid, p-Acetylbenzolsulfonsaurechlorid, 4-Acetylbenzene-1-sulfonylchloride, AR-1G0374, CID266418, 1-ethyl-1H-pyrazol-4-amine hydrochloride, 4-Acetylbenzenesulfonyl chloride, 98% - 1G 1g, 178980-65-9,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.98g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.651g/mol
Monoisotopic Mass	217.98g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

Lot Number