4-에틸벤젠설폰산
4-Ethylbenzenesulfonic acid
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기본 정보
- CAS
57352-34-8- 표준 SMILES
CCc1ccc(S(=O)(=O)O)cc1- InChIKey
BRIXOPDYGQCZFO-UHFFFAOYSA-N- 분자식
- C8H10O3S
- 평균 분자량
- 186.23 g/mol
- 단동위원소 질량
- 186.03506535
개요
4-ethylphenylsulfonic acid is a sulfonic acid derivative.
이름 및 식별자
- 우선 이름
- 4-Ethylbenzenesulfonic acid
- IUPAC
- 4-ethylbenzenesulfonic acid
- 현지명
- 4-에틸벤젠설폰산
- 영어명
- 4-Ethylbenzenesulfonic acid
- 분자식
- C8H10O3S
- 분자량
- 186.23
이름 및 동의어
4-ETHYLBENZENESULFONIC ACID98-69-1p-Ethylbenzenesulfonic acidBenzenesulfonic acid, 4-ethyl-Phenylethane-p-sulfonateBenzenesulfonic acid, p-ethyl-p-Ethylbenzenesulphonic acidBenzenesulfonic acid, ethyl-DTXSID4046571XIG6VCJ1KCHSDB 5320EINECS 202-693-7
이름 더 보기
4-에틸벤젠설폰산p-ethyl-benzenesulfonicaci4-ethyl-benzenesulfonicaci4-ETHYLBENZENESULFONIC ACID TECH 95%4-ETHYLBENZENESULFONIC ACID, TECH., 95%4-Ethylbenzenesulfonic acid technical grade, 95%
DTXCID2026571EINECS 260-690-6PhenylethanepsulfonatepEthylbenzenesulfonic acidRefChem:522849Benzenesulfonic acid, pethylBenzenesulfonic acid, 4ethylDTXSID201015797
데이터베이스 식별자
- CAS
57352-34-8、98-69-1- PubChem CID
- 7402
- DTXSID
DTXSID4046571- ChEMBL
CHEMBL3188767- ChEBI
CHEBI:176767- UNII
- XIG6VCJ1KC
- EC Number
- 202-693-7
- Nikkaji
- J27.506I
물성
구조 계산 물성보충 중
- XLogP
- 1.5
- 극성 표면적
- 62.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 219
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Benzenesulfonic Acid Derivatives
Physical DescriptionLiquid
물리화학적 성질
- 밀도
- 1.229 g/mL · 1.229 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.5331(lit.)
- 인화점
- 230 °F · >230 °F
- 산도 계수 (pKa)
- -0.45 · -0.45±0.50(Predicted)
- 안정성
- 타기 쉬운. 강한 산화제, 강한 염기와 호환되지 않습니다.
- InChI
- InChI=1S/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)
- InChIKey
- BRIXOPDYGQCZFO-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=CC=C(CC)C=C1
- EPA
- 4 · Benzenesulfonic acid, 4-ethyl- (98-69-1)
화학적 성질
Solid.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzenesulfonic acid, 4-ethyl-
Benzenesulfonic acid, ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, ethyl- 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)
Benzenesulfonic acid, ethyl-: 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.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 및 보호
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
화학 및 산업
용도 및 제조
Uses
Used in wastewater treatment; [HSDB]
Sewer and Wastewater Treatment [Category: Industry]
IN WASTEWATER TREATMENT
U.S. Production2023: 114,326 lb
Consumer UsesCatalyst
Industry UsesSurfactant (surface active agent)
Methods of ManufacturingSulfonation of ethylbenzene with sulfuric acid
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzenesulfonic acid, 4-ethyl-: ACTIVE
Benzenesulfonic acid, ethyl-: ACTIVE
응용 분야
용도4-Ethylbenzenesulfonic acid was used to dope high conducting polypyrrole thin films.
제조 방법
생산 방법4-Ethylbenzenesulfonic acid is produced by sulfonating ethylbenzene with sulfuric acid. It is separated from the isomers via the aniline salt.
상·하류 제품 정보
상류 원료
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