기본 정보
- CAS
22326-31-4- 표준 SMILES
O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)O)c1- InChIKey
CARJPEPCULYFFP-UHFFFAOYSA-N- 분자식
- C8H6O7S
- 평균 분자량
- 246.2 g/mol
- 단동위원소 질량
- 245.98342353
개요
5-Sulfo-1,3-benzenedicarboxylic acid is a sulfobenzoic acid.
이름 및 식별자
- 우선 이름
- Sulfoisophthalic acid
- IUPAC
- 5-sulfobenzene-1,3-dicarboxylic acid
- 현지명
- 5-설포이소프탈산
- 영어명
- 5-Sulfoisophthalic acid
- 분자식
- C8H6O7S
- 분자량
- 246.19
이름 및 동의어
5-Sulfoisophthalic acid22326-31-4sulfoisophthalic acid826FR8A3IPRefChem:889577244-912-95-sulfobenzene-1,3-dicarboxylic acid5-Sulphoisophthalic acid5-Sulfoisophthalicacid5-Sulfo-1,3-benzenedicarboxylic acid1,3-Benzenedicarboxylic acid, 5-sulfo-Isophthalic acid, 5-sulfo-
이름 더 보기
5-설포이소프탈산5-SIPABrn 27421735-sulfo-isophthalicacim-Phthalic-5-sulfonic acid5- sulfonyl terephthalic acid5-SULFAISOPHALIC ACID (5-SIPA)5-SULFOISOPHTHALIC ACID (SIPA)
Monopotassium 5-sulfoisophthalateCHEMBL165399MFCD000667885-Sulfo-1,3-benzenedicarboxylic acid, monopotassium salt1,3-Benzenedicarboxylic acid, 5-sulfo-, monopotassium salt1,3-Benzenedicarboxylic acid, 5-sulfo-, potassium salt (1:1)3,5-dicarboxybenzenesulfonic acidEINECS 244-912-9
데이터베이스 식별자
- CAS
22326-31-4、46728-71-6- PubChem CID
- 80714
- DTXSID
DTXSID8045064
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 137 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 371
실험 및 물리화학적 성질
Melting Point258 °C
Physical Description
Dry Powder
Solid
Collision Cross Section147.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5044819]
물리화학적 성질
- 녹는점
- 258 °C · 258 °C
- 끓는 점
- 359.19 °C · 359.19°C (rough estimate)
- 밀도
- 1.8097 · 1.8097 (rough estimate)
- 굴절률
- 1.655 · 1.6550 (estimate)
- 산도 계수 (pKa)
- -1.37 · -1.37±0.30(Predicted)
- 물리적 상태
- 수정 같은
- EPA
- 5 · 5-Sulfoisophthalic acid (22326-31-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
1,3-Benzenedicarboxylic acid, 5-sulfo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenedicarboxylic acid, 5-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)
Status: Active Update: 15-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/12573
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2922498590
- hazard_code
- C
- 위험 참고 사항
- Harmful/Corrosive
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
U.S. Production2023: <50,000 lb
General Manufacturing Information
1,3-Benzenedicarboxylic acid, 5-sulfo-: ACTIVE
1,3-Benzenedicarboxylic acid, 5-sulfo-, potassium salt (1:1): INACTIVE
공급사51 곳
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京泰和景明医药科技有限公司15011440205 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
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