AG003B6D

54403-98-4 | 2-Bromo-4-(trifluoromethyl)benzene-1-sulfonyl chloride

AG003B6D

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CAS Number	54403-98-4
Catalog Number	AG003B6D(AGN-PC-0KKZ0G)
Chemical Name	2-Bromo-4-(trifluoromethyl)benzene-1-sulfonyl chloride
IUPAC Name	2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride
InChI	InChI=1S/C7H3BrClF3O2S/c8-5-3-4(7(10,11)12)1-2-6(5)15(9,13)14/h1-3H
InChI Key	WWEGTYZLWBOTQW-UHFFFAOYSA-N
MDL Number	MFCD03094394
Molecular Formula	C7H3BrClF3O2S
Molecular Weight	323.5147
SMILES	O=S(C1=CC=C(C(F)(F)F)C=C1Br)(Cl)=O
Synonyms	54403-98-4, 2-Bromo-4-(trifluoromethyl)benzene-1-sulfonyl chloride, 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride, 2-bromo-4-(trifluoromethyl)benzene sulphonyl chloride, 2-bromo-4-(trifluoromethyl)benzenesulfonylchloride, MFCD03094394, 2-bromo-4-(trifluoromethyl)-benzenesulfonyl chloride, 2-bromo-4-(trifluoromethyl)benzenesulphonyl chloride, Benzenesulfonyl chloride, 2-bromo-4-(trifluoromethyl)-, AC1MCTOG, PubChem11716, KSC269C3J, SCHEMBL308729, CTK1G9134, DTXSID30381031, ABLOCK AB-13-6537, WWEGTYZLWBOTQW-UHFFFAOYSA-N, ACT01231, BUTTPARK 146\11-59, KS-000010OK, ANW-46302, BBL100407, SBB066553, STL554201, ZINC95676644, AKOS000180332, RP06968, RTR-019236, TRA0127921, VZ23951, AS-42649, BC003601, AB0025405, ST2404202, TR-019236, FT-0611425, W6863, Y-8760, [2-bromo-4-(trifluoromethyl)phenyl]chlorosulfone, A830162, 2-bromo-4-(trifluoromethyl)benzene sulfonyl chloride, 2-bromo-4-(trifluoromethyl)benzenesulphonylchloride, I09-1044, J-508248, 2-bromanyl-4-(trifluoromethyl)benzenesulfonyl chloride, Benzenesulfonylchloride, 2-bromo-4-(trifluoromethyl)-, 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride, 97%, C7H3BrClF3O2S, CID2778611, 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride, 97% - 1G 1g,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	321.868g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	323.508g/mol
Monoisotopic Mass	321.868g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(3)
Hazard statements	H226-H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2920

Certificate of Analysis

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