4-Sulfophthalic acid

ca50%inwater · 4-sulfo-phthalicaci · 4-Sulfophthalic acid · 4-SULPHOPHTHALIC ACID · 5-SULFO PHTHALIC ACID · 4-Sulfophthalic Acid 4-Sulfophthalic acid, pract. · 4-sulfophthalic acid solution · 4-sulfo-2-benzenedicarboxylicacid

https://huagongshe.com/ko/chemical/6962

식별자 및 물리적 특성

CAS No.	89-08-7
분자식	C8H6O7S
평균 분자량	246.2 g/mol
단동위원소 질량	245.9834237 g/mol
SMILES	O=C(O)c1ccc(S(=O)(=O)O)cc1C(=O)O
InChIKey	WNKQDGLSQUASME-UHFFFAOYSA-N
PubChem CID	6962
ChEMBL	CHEMBL3182294
EC No.	201-881-6
DTXSID	DTXSID6026535

화학 및 물리적 성질

XLogP	-0.3
극성 표면적	137
수소 결합 공여자 수	3
수소 결합 수용자 수	7
회전 가능 결합 수	3
무거운 원자 수	16
형식 전하	0
복잡도	393
Physical Description	LiquidLight orange liquid (50% aqueous solution)[MSDSonline]
Collision Cross Section	145.3 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID6026535]
끓는 점	92 °C
밀도	1.292 g/mL at 25 °C
굴절률	n20/D 1.447
물리적 상태	액체
pKa(산도 계수)	-1.40±0.50(Predicted)
색상	맑은 약간 갈색
InChI	1S/C8H6O7S/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)
InChIKey	WNKQDGLSQUASME-UHFFFAOYSA-N
SMILES	OC(=O)c1ccc(cc1C(O)=O)S(O)(=O)=O
EPA	4-Sulfophthalic acid (89-08-7)

화학적 성질

clear slightly brown solution

안전 및 규제

관세 코드
GHS 분류	This chemical does not meet GHS hazard criteria for 97.3% (2112 of 2170) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 2112 of 2170 companies (only 2.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 2170 reports by companies from 6 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 2112 of 2170 reports by companies.There are 5 notifications provided by 58 of 2170 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Chemical: 1,2-Benzenedicarboxylic acid, 4-sulfo-1,2-Benzenedicarboxylic acid, 4-sulfo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 4-sulfo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)1,2-Benzenedicarboxylic acid, 4-sulfo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
유해성 요약	Emergency treatment: see Phthalic acid. [HSDB] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline]
Hazard Classes and Categories	Not Classified
유해 작용	Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 3265 8/PG 2

용도

4-Sulfophthalic acid is used a reagent for the reaction with ethylhexanol(E918755) in the preparation of a plasticizing dopant for poly(aniline).