4-Methylbenzenesulfonyl fluoride

HCID 9965CAS 455-16-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc(S(=O)(=O)F)cc1
InChIKey
IZZYABADQVQHLC-UHFFFAOYSA-N
분자식
C7H7FO2S
평균 분자량
174.19 g/mol
단동위원소 질량
174.01507868

개요

inhibitor of peptide hydrolases; structure in second source

이름 및 식별자

우선 이름
4-Methylbenzenesulfonyl fluoride
IUPAC
4-methylbenzenesulfonyl fluoride
영어명
P-TOLUENESULFONYL FLUORIDE
분자식
C7H7FO2S
분자량
174.19

이름 및 동의어

p-TOLUENESULFONYL FLUORIDE455-16-34-Methylbenzenesulfonyl fluoride4-Toluenesulfonyl fluorideBenzenesulfonyl fluoride, 4-methyl-alpha-tolylsulfonyl fluoridepara-toluenesulfonyl fluoridephenylmethane sulfonyl fluorideDTXSID00600144-PMSFRefChem:100547DTXCID4040422
이름 더 보기
p-Fluorosulfonyltoluene4-TOLUENESULONYLCHLORIDE4-Toluensulfonyl fluoridetoluene-4-sulfonylfluoride
207-238-6Tosyl fluoridep-toluenesulfonylfluoride4-Tolylsulfonyl fluorideToluene-4-sulfonyl fluoride4-methylbenzene-1-sulfonyl fluoridep-Methylbenzenesulfonyl fluoridep-Toluenesulphonyl fluoride

데이터베이스 식별자

CAS
455-16-3
PubChem CID
9965
DTXSID
DTXSID0060014
EC Number
207-238-6
Nikkaji
J55H

물성

구조 계산 물성

XLogP
2.7
극성 표면적
42.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.74

물리화학적 성질

녹는점
41 · 41-42 °C(lit.)
끓는 점
112 °C16 · 112 °C16 mm Hg(lit.)
밀도
1.2768 · 1.2768 (estimate)
인화점
222 °F · 222 °F
저장 조건
2 · Storage temp. 2-8°C
물리적 상태
solid

화학적 성질

White to beige fused mass

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
XT8050000
ridadr
UN 3261 8/PG 2
독성
rat,LD50,intraperitoneal,200mg/kg (200mg/kg),Nature. Vol. 173, Pg. 33, 1954.
HS 번호
29049095

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationCompounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).

용도 및 제조

General Manufacturing InformationBenzenesulfonyl fluoride, 4-methyl-: INACTIVE
응용 분야 · 2건

용도p-Toluenesulfonyl fluoride is used for sulfonylation of organometallic reagents as a simple, one-step synthesis of sulfones. It is useful in the treatment of Alzheimers disease. It is used to study the DNS polymerase from spinach leaf extracts. It was used in isolation and separation of Pseudomonas aeruginosa membranes by density sucrose gradient centrifugation.

일반 설명p-Toluenesulfonyl fluoride is a peroxygen bleach activator and is also useful in the treatment of Alzheimer′s disease.

공급사50 곳

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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