AG00BXRE

3965-55-7 | Sodium Dimethyl 5-Sulphonatoisophthalate

AG00BXRE

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CAS Number	3965-55-7
Catalog Number	AG00BXRE(AGN-PC-0RKEIT)
Chemical Name	Sodium Dimethyl 5-Sulphonatoisophthalate
EC Number	223-578-8
IUPAC Name	sodium;3,5-bis(methoxycarbonyl)benzenesulfonate
InChI	InChI=1S/C10H10O7S.Na/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;/h3-5H,1-2H3,(H,13,14,15);/q;+1/p-1
InChI Key	LLHSEQCZSNZLRI-UHFFFAOYSA-M
MDL Number	MFCD03790002
Molecular Formula	C10H9NaO7S
Molecular Weight	296.2290
SMILES	O=S(C1=CC(C(OC)=O)=CC(C(OC)=O)=C1)([O-])=O.[Na+]
UNII	7L3G5X9VDU
Synonyms	3965-55-7, sodium 3,5-bis(methoxycarbonyl)benzenesulfonate, Sodium dimethyl 5-sulphonatoisophthalate, Dimethyl 5-sulfoisophthalate sodium salt, UNII-7L3G5X9VDU, Sodium 1,3-dimethyl 5-sulfoisophthalate, Sodium Dimethyl 5-Sulfoisophthalate, EINECS 223-578-8, 7L3G5X9VDU, 5-Sulfoisophthalic acid, dimethyl ester, sodium salt, 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt, 3,5-Bis-methylkarboxy-benzensulfonan sodny [Czech], MFCD00007493, 3,5-Bis-(methoxykarbonyl)benzensulfonan sodny [Czech], 3,5-Bis(methoxycarbonyl)benzenesulfonic acid sodium salt, Dimethyl-5-sulfoisophthalate sodium salt, Isophthalic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt, 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt (1:1), 5-Sulfoisophthalic Acid Dimethyl Ester Sodium Salt, W-106413, Benzenesulfonic acid, 3,5-bis(methoxycarbonyl)-, sodium salt, 3,5-Bis-methylkarboxy-benzensulfonan sodny, DSSTox_CID_7551, 3,5-Bis-(methoxykarbonyl)benzensulfonan sodny, ACMC-20ah49, EC 223-578-8, AC1Q1W1W, DSSTox_RID_78502, DSSTox_GSID_27551, KSC495Q5J, SCHEMBL260648, Jsp006883, CHEMBL3184805, DTXSID6027551, CTK3J5854, Dimethyl Sodium 5-Sulfoisophthalate, Tox21_200459, ANW-73111, AKOS015890504, AKOS015964165, ACM3965557, 5-(Sodiosulfo)isophthalic acid dimethyl, KS-000010D8, NCGC00258013-01, AC-11060, AK106227, AS-12455, LS-31786, OR350121, CAS-3965-55-7, AX8107379, Dimethyl Sodium?5-Sulfoisophthalate (SIPM), RT-002735, FT-0620775, S0157, ST24049223, Dimethyl 5-sulfoisophthalate sodium salt, 98%, I01-6420, C10H9NaO7S, C10H10O7S.Na, C10-H10-O7-S.Na, ACN-S002197, CID77584, AR-1L4666, Sodiumdimethyl5-sulphonatoisophthalate, isophthalic acid, 5-sulfo, 1,3-dimethyl ester, sodium salt, Isophthalic acid, 5-sulfo-1,3-dimethyl ester, sodium salt, Sodium 3,5-di(methoxycarbonyl)benzenesulfonate, 98% - 100G 100g, 81029-00-7,

Complexity	404
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.997g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	296.225g/mol
Monoisotopic Mass	295.997g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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