기본 정보
- 표준 SMILES
CCc1ccc(S(=O)(=O)O)cc1- InChIKey
BRIXOPDYGQCZFO-UHFFFAOYSA-N- 분자식
- C8H10O3S
- 평균 분자량
- 186.23 g/mol
- 단동위원소 질량
- 186.03506535
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-DTXSID4046571XIG6VCJ1KCp-Ethylbenzenesulphonic acidBenzenesulfonic acid, ethyl-ETHYLBENZENESULFONIC ACIDHSDB 5320
이름 더 보기
4-에틸벤젠설폰산p-ethyl-benzenesulfonicaci4-ethyl-benzenesulfonicaci4-ETHYLBENZENESULFONIC ACID TECH 95%4-ETHYLBENZENESULFONIC ACID, TECH., 95%4-Ethylbenzenesulfonic acid technical grade, 95%
EINECS 202-693-7DTXCID2026571EINECS 260-690-6PhenylethanepsulfonatepEthylbenzenesulfonic acidRefChem:522849Benzenesulfonic acid, pethylBenzenesulfonic acid, 4ethyl
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 물성
- 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
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
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye 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.；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.
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%)；Eye Dam. 1 (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.
독성 정보
Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
규제 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.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2586 8/PG 3
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- KE-13536
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
- 유해 물질 데이터
- 98-69-1(Hazardous Substances Data)
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；2022: 110,375 lb；2021: 119,532 lb；2020: 60,128 lb
Consumer UsesCatalyst；Surfactant (surface active agent)
Industry UsesSurfactant (surface active agent)；Catalyst
Methods of ManufacturingSulfonation of ethylbenzene with sulfuric acid
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing；Plastics Material and Resin 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
공급사1 곳
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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