Ethanol, 2-[(4-methylphenyl)sulfonyl]-

HCID 89682

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 22381-54-0
표준 SMILES: Cc1ccc(S(=O)(=O)CCO)cc1
InChIKey: QJFIXBNLKARINT-UHFFFAOYSA-N
분자식: C9H12O3S
평균 분자량: 200.26 g/mol
단동위원소 질량: 200.05071541

이름 및 식별자

우선 이름: Ethanol, 2-[(4-methylphenyl)sulfonyl]-
IUPAC: 2-(4-methylphenyl)sulfonylethanol
영어명: 2-[(4-Methylphenyl)sulfonyl]ethanol
분자식: C9H12O3S
분자량: 200.25

이름 및 동의어

Ethanol, 2-(p-tolylsulfonyl)-Ethanol, 2-[(4-methylphenyl)sulfonyl]-2-[(4-Methylphenyl)sulfonyl]ethanol2-(4-Methylphenylsulfonyl)ethanolNSC 70003Ethanol, 2-((4-methylphenyl)sulfonyl)-AI3-07259DTXSID10667862-((4-Methylphenyl)sulfonyl)ethanolRefChem:592153DTXCID6036675Ethanol, 2-(p-tolylsulfonyl)-(8CI)

이름 더 보기

MPSE2-(p-tosyl)ethanolToluenesulfonylethanol2-(P-TOLUENESULPHONYL)ETHANOL2-(4-Toluenesulfonyl)-ethanol2-(p-Toluenesulfonyl)ethanol,98%

625-269-72-Tosylethanol22381-54-02-(p-Toluenesulfonyl)ethanol2-(p-Tolylsulfonyl)ethanol2-(4-methylphenyl)sulfonylethanolMFCD000417572-(Toluene-4-sulfonyl)ethanol

데이터베이스 식별자

CAS: 22381-54-0
PubChem CID: 89682
DTXSID: DTXSID1066786
EC Number: 625-269-7
Nikkaji: J145.069G

물성

구조 계산 물성

XLogP: 1
극성 표면적: 62.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 232

물리화학적 성질

녹는점: 50 · 50-56 °C (lit.)
끓는 점: 178 · 178-181 °C/0.2 mmHg (lit.)
밀도: 1.2922 · 1.2922 (rough estimate)
굴절률: 1.4998 · 1.4998 (estimate)
인화점: 178 · 178-181°C/0.2mm
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 13.73 · 13.73±0.10(Predicted)
수용성: 물에 약간 용해됩니다.
BRN: 1961132 · 1961132
InChI: 1S/C9H12O3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5,10H,6-7H2,1H3
InChIKey: QJFIXBNLKARINT-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)S(=O)(=O)CCO
EPA: 2 · Ethanol, 2-[(4-methylphenyl)sulfonyl]- (22381-54-0)

화학적 성질

WHITE TO OFF-WHITE ADHERING CRYSTALS

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；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

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29062990
risk_code: 22
hazard_code: Xn
safety_code: 24/25
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanol, 2-[(4-methylphenyl)sulfonyl]-: INACTIVE

응용 분야

용도2-(p-Toluenesulfonyl)ethanol is used as an organic chemical synthesis intermediate.

상·하류 제품 정보

상류 원료

2-(P-톨릴티오)-에탄올 Benzene, 1,1'-[1,2-ethanediylbis(sulfonyl)]bis[4-methyl-Ethanol, 2-[(4-methylphenyl)sulfinyl]-P-TOLYL VINYL SULPHONE P-톨루엔설핀산 2-(4-Methylphenyl)ethanol 에틸렌옥사이드 p-톨루엔설핀산 나트륨염 파라-티오크레솔 에틸렌 클로로히드린

공급사66 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

苏州纳什医药科技有限公司13482028355 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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