Phenylmethylsulfonyl Fluoride
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
329-98-6- 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 물성보충 중
- 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
- 형식 전하
- 0
- 복잡도
- 199
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.
- 물리적 상태
- 바늘 모양(뭉쳐질 수 있음)
- 산도 계수 (pKa)
- 7 · 7.0
- 색상
- 하얀색
- 생물학적 소스
- synthetic
- 수용성
- 가수 분해
- Merck
- 14 · 14,7542
- BRN
- 2088311 · 2088311
- 안정성
- 수분에 민감한
- 화장품 원료 기능
- 피부 컨디셔닝
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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
화학 및 산업
약리 정보
MeSH Pharmacological Classification
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.
상·하류 제품 정보
상류 원료
관련 반응
25건
화합물 노트
불러오는 중…