2-톨루엔술폰산
2-Methylbenzenesulfonic acid
기본 정보
- CAS
88-20-0- 표준 SMILES
Cc1ccccc1S(=O)(=O)O- InChIKey
LBLYYCQCTBFVLH-UHFFFAOYSA-N- 분자식
- C7H8O3S
- 평균 분자량
- 172.2 g/mol
- 단동위원소 질량
- 172.01941512
개요
2-Methylbenzenesulfonic acid is an organosulfur compound and a sulfonic acid derivative.
이름 및 식별자
- 우선 이름
- 2-Methylbenzenesulfonic acid
- IUPAC
- 2-methylbenzenesulfonic acid
- 현지명
- 2-톨루엔술폰산
- 영어명
- 2-Toluenesulfonic acid
- 분자식
- C7H8O3S
- 분자량
- 172.2
이름 및 동의어
2-methylbenzenesulfonic acid88-20-0Toluene-2-sulfonic acido-toluenesulfonic acidBenzenesulfonic acid, 2-methyl-UNII-4ZHF5BMF7N4ZHF5BMF7NO-METHYLBENZENESULFONIC ACIDEINECS 201-809-3DTXSID1045035NSC-87381RefChem:88256
이름 더 보기
2-톨루엔술폰산Ortho toluene sulfonic acidSorafenib Impurity 472-methylbenzenesulfonylacido-Toluenesulfonic acid (8CI)2-methyl-benzenesulfonic aci2-Methyl-Benzenesulfonic Acid
DTXCID9025035201-809-32-Toluenesulfonic acidToluene-2-sulphonic acidMFCD000694422-methylbenzene-1-sulfonic acid2-Methyl Benzenesulfonic acidtoluenesulfonicacid
데이터베이스 식별자
- CAS
88-20-0- PubChem CID
- 6925
- DTXSID
DTXSID1045035- ChEMBL
CHEMBL3306053- ChEBI
CHEBI:173491- UNII
- 4ZHF5BMF7N
- EC Number
- 201-809-3
- Nikkaji
- J44.083C
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 62.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 214
실험 및 물리화학적 성질
Physical DescriptionLiquid
Collision Cross Section131.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2044553]
물리화학적 성질
- 녹는점
- 67.5 °C · 67.5°C
- 끓는 점
- 272.52 °C · 272.52°C (rough estimate)
- 밀도
- 1.3692 · 1.3692 (rough estimate)
- 굴절률
- 1.5151 · 1.5151 (estimate)
- 저장 조건
- Store at room temperature, keep dry and cool
- 산도 계수 (pKa)
- -0.53 · -0.53±0.15(Predicted)
- 수용성
- 488.9 g/L · 488.9g/L(32.5℃)
- InChI
- InChI=1S/C7H8O3S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
- InChIKey
- LBLYYCQCTBFVLH-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=CC=CC=C1C
- EPA
- 2 · Benzenesulfonic acid, 2-methyl- (88-20-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (95.3%): 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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Benzenesulfonic acid, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2-methyl- 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)
Hazard Classes and CategoriesSkin Irrit. 2 (95.3%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
U.S. Production2023: 1,240,150 lb
Consumer UsesCatalyst
Industry UsesSurfactant (surface active agent)
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzenesulfonic acid, 2-methyl-: ACTIVE
응용 분야
용도Natural gas hydrate promotion capabilities of the hydrotope o-Toluenesulfonic Acid as an additive was investigated.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
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