Phenylmethylsulfonyl Fluoride

HCID 4784CAS 329-98-6

기본 정보

표준 SMILES
O=S(=O)(F)Cc1ccccc1
InChIKey
YBYRMVIVWMBXKQ-UHFFFAOYSA-N
분자식
C7H7FO2S
평균 분자량
174.19 g/mol
단동위원소 질량
174.01507868

개요

Phenylmethanesulfonyl fluoride is an acyl fluoride with phenylmethanesulfonyl as the acyl group. It has a role as a serine proteinase inhibitor. It is functionally related to a phenylmethanesulfonic acid.

이름 및 식별자

우선 이름
Phenylmethylsulfonyl Fluoride
IUPAC
phenylmethanesulfonyl fluoride
영어명
Phenylmethylsulfonyl fluoride
분자식
C7H7FO2S
분자량
174.19

이름 및 동의어

Phenylmethylsulfonyl fluoridePMSF329-98-6phenylmethanesulfonyl fluorideBenzylsulfonyl fluorideBenzenemethanesulfonyl fluoridealpha-TOLUENESULFONYL FLUORIDEPhenylmethylsulfonylfluorideBenzylsulphonyl fluorideDTXSID6059819NSC-8849957KD15003I
이름 더 보기
TOSYL FLUORIDEP-TOLUENESULFONYL FLUORIDEα-toluenesulphonyl fluoride4-METHYLBENZENESULFONYL FLUORIDEabs9146PMSF PLUSPMSF, PMs-F
CHEBI:8102Fluoride, PhenylmethylsulfonylFluoride, PhenylmethanesulfonylFluoride, BenzenemethanesulfonylRefChem:861810DTXCID2038605206-350-2alpha-Toluenesulphonyl fluoride

데이터베이스 식별자

CAS
329-98-6
PubChem CID
4784
DTXSID
DTXSID6059819
ChEMBL
CHEMBL190503
ChEBI
CHEBI:8102
UNII
57KD15003I
EC Number
206-350-2
Nikkaji
J150.773G

물성

구조 계산 물성

XLogP
1.3
극성 표면적
42.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
11

실험 및 물리화학적 성질

Chemical ClassesOther Uses -> Biochemical Research
Physical DescriptionColorless solid; [Merck Index] White crystals; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
92 · 92-95 °C
끓는 점
112 °C16 · 112 °C16 mm Hg(lit.)
밀도
0.797 g/mL · 0.797 g/mL at 20 °C
인화점
222 °F · 222 °F
저장 조건
2 · 2-8°C
용해도
2 · 건조 용매(에탄올, 메탄올 및 2-프로판올): 200mM 스톡 용액은 4°C에서 수개월 동안 안정적입니다.

화학적 성질

White to cream solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (99%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 103 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPhenylmethanesulphonyl fluoride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary · 1건

Causes convulsions and multiple enzyme effects in acute intraperitoneal studies of mice; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion; Targets the nerves, heart, blood, and eyes; [Sigma-Aldrich MSDS] See Methanesulfonyl fluoride.

Hazard Classes and CategoriesAcute Tox. 3 (99%)

안전 및 보호

Exposure Control and Personal Protection · 2건

Biological Exposure Indices (BEI) [ACGIH] - Fluorides in urine = 2 mg/L prior to shift or 3 mg/L at end of shift; (Repeated measurements recommended.)

1.0 [mg/m3], inhalable fraction, as F[German Research Foundation (DFG)]

Threshold Limit Values (TLV)2.5 [mg/m3], as F
Permissible Exposure Limit (PEL)2.5 [mg/m3], as F

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
XT8050000
ridadr
UN 3261 8/PG 2
독성
LD50 (24 hr) in mice (mg/kg): 215 ±55 i.p. (Pinsky)
HS 번호
29241990

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).

용도 및 제조

UsesA serine and cysteine protease inhibitor; Used as a protease inhibitor in research and to prevent proteolytic degradation in protein purification; [Merck Index]
General Manufacturing InformationBenzenemethanesulfonyl fluoride: ACTIVE

응용 분야

용도Phenylmethylsulfonyl fluoride is used as a Protease inhibitor such as Chymotrypsin, Trypsin and Thrombin as well as Acetylcholineesterase.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

추가 설명

정의ChEBI: Phenylmethanesulfonyl fluoride is an acyl fluoride with phenylmethanesulfonyl as the acyl group. It has a role as a serine proteinase inhibitor. It derives from a phenylmethanesulfonic acid.

관련 반응

25건

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