AG00046G

10130-89-9 | Benzoic acid, 4-(chlorosulfonyl)-

AG00046G

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CAS Number	10130-89-9
Catalog Number	AG00046G(AGN-PC-0JLTUR)
Chemical Name	Benzoic acid, 4-(chlorosulfonyl)-
EC Number	233-367-2
IUPAC Name	4-chlorosulfonylbenzoic acid
InChI	InChI=1S/C7H5ClO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChI Key	PTCSSXYPZOFISK-UHFFFAOYSA-N
MDL Number	MFCD00007448
Molecular Formula	C7H5ClO4S
Molecular Weight	220.6302
SMILES	S(=O)(=O)(Cl)c1ccc(cc1)C(=O)O
Synonyms	4-(Chlorosulfonyl)benzoic acid, 10130-89-9, Benzoic acid, 4-(chlorosulfonyl)-, 4-chlorosulfonylbenzoic acid, 4-(Chlorosulphonyl)benzoic acid, p-(Chlorosulfonyl)benzoic acid, p-Carboxybenzenesulfonyl chloride, Benzoic acid, p-(chlorosulfonyl)-, 4-Carboxybenzenesulfonyl chloride, MFCD00007448, 4-Chlorosulfonyl-benzoic acid, PTCSSXYPZOFISK-UHFFFAOYSA-N, 4-(Chlorosulfonyl)benzoic acid, 96%, 4-carboxy-benzenesulfonylchloride, EINECS 233-367-2, NSC 191087, PubChem14811, akos bb-9471, ACMC-1BROT, rarechem al bo 0540, AC1Q6YLP, p-chlorosulfonylbenzoic acid, (chlorosulfonyl)benzoic acid, AC1L33AY, 4-chlorosulphonylbenzoic acid, SCHEMBL40244, 4-Chlorosulfonyl benzoic acid, KSC493I0D, 4-(chlorosulfonyl)-benzoicaci, 4-chloranylsulfonylbenzoic acid, 4-chlorosulphonyl benzoic acid, 4-chlorosulphonyl-benzoic acid, 4-carboxyphenylsulphonylchloride, AC1Q737V, otava-bb bb7020430958, 4-(chlorosulfonyl) benzoic acid, 4-(chlorosulfonyl)-benzoic acid, DTXSID5064960, CTK3J3401, PTCSSXYPZOFISK-UHFFFAOYSA-, 4-(chlorosulphonyl) benzoic acid, ACN-P000613, ANW-56717, BBL011143, NSC191087, NSC511364, SBB016763, STK802455, ZINC59796783, AKOS000349033, AC-7117, AN-9318, CS-W019499, MCULE-1842819262, NSC-191087, NSC-511364, RP05176, TRA-0205217, AK-44953, AS-19759, SC-25419, DB-037935, RT-001444, ST2418014, BB 0218015, FT-0636637, ST45243662, Y6787, EN300-17765, KS-00000106, M-7390, 37439-EP2311802A1, 37439-EP2311803A1, 130C899, A800370, I09-1028, J-513707, InChI=1/C7H5ClO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10), C7H5ClO4S, C7-H5-Cl-O4-S, CID82385, AR-1F6790, ACN-000613, 4-(Chlorosulfonyl)benzoic acid, 96% - 1G 1g, 10173-74-7,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.96g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.623g/mol
Monoisotopic Mass	219.96g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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 3261

Certificate of Analysis

Lot Number