AG005H3W

71530-58-0 | 3-Isopropylbenzene-1-sulfonyl chloride

AG005H3W

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CAS Number	71530-58-0
Catalog Number	AG005H3W(AGN-PC-001UMY)
Chemical Name	3-Isopropylbenzene-1-sulfonyl chloride
IUPAC Name	3-propan-2-ylbenzenesulfonyl chloride
InChI	InChI=1S/C9H11ClO2S/c1-7(2)8-4-3-5-9(6-8)13(10,11)12/h3-7H,1-2H3
InChI Key	ZFVRVVPYKFLHAE-UHFFFAOYSA-N
MDL Number	MFCD09730000
Molecular Formula	C9H11ClO2S
Molecular Weight	218.7004
SMILES	CC(C)C1=CC=CC(=C1)S(Cl)(=O)=O
Synonyms	71530-58-0, 3-isopropylbenzenesulfonyl chloride, 3-isopropylbenzene-1-sulfonyl chloride, 3-(PROPAN-2-YL)BENZENE-1-SULFONYL CHLORIDE, 3-propan-2-ylbenzenesulfonyl chloride, PubChem10550, SCHEMBL958495, CTK5D4529, 3-Isopropylbenzenesulfonylchloride, 3-isopropylphenylsulfonyl chloride, DTXSID10561839, ZFVRVVPYKFLHAE-UHFFFAOYSA-N, 3-Isopropyl benzenesulfonyl chloride, 1106AC, ANW-67222, MFCD09730000, STL220977, AKOS005257110, ZINC100046331, CM13640, MCULE-3784253618, 3-(propan-2-yl)benzenesulfonyl chloride, 3-(1-methylethyl)benzenesulfonyl chloride, AS-33212, 3-(1-methylethyl)-benzenesulfonyl chloride, TC-155967, FT-0687520, TL80074097, EN300-85930, S-8160, A837232, I01-8406, C9H11ClO2S, 3-Isopropylbenzene-1-sulfonylchloride, 859199-06-7,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.017g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.695g/mol
Monoisotopic Mass	218.017g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1760

Certificate of Analysis

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