Phenylmethylsulfonyl Fluoride

PMSF · PHENYLMETHANESULFONYL FLUORIDE · TOSYL FLUORIDE · P-TOLUENESULFONYL FLUORIDE · α-toluenesulphonyl fluoride · ALPHA-TOLUENESULFONYL FLUORIDE · 4-METHYLBENZENESULFONYL FLUORIDE · abs9146

https://huagongshe.com/ko/chemical/4784

식별자 및 물리적 특성

CAS No.	329-98-6
분자식	C7H7FO2S
평균 분자량	174.19 g/mol
단동위원소 질량	174.01507868 g/mol
SMILES	O=S(=O)(F)Cc1ccccc1
InChIKey	YBYRMVIVWMBXKQ-UHFFFAOYSA-N
PubChem CID	4784
ChEMBL	CHEMBL190503
ChEBI	CHEBI:8102
EC No.	206-350-2
DTXSID	DTXSID6059819

화학 및 물리적 성질

XLogP	1.3
극성 표면적	42.5
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	11
형식 전하	0
복잡도	199
물질 분류	Other Uses -> Biochemical Research
Physical Description	Colorless solid[Merck Index] White crystals[Sigma-Aldrich MSDS]
녹는점	92-95 °C
끓는 점	112 °C16 mm Hg(lit.)
밀도	0.797 g/mL at 20 °C
인화점	222 °F
저장 조건	2-8°C
용해도	건조 용매(에탄올, 메탄올 및 2-프로판올): 200mM 스톡 용액은 4°C에서 수개월 동안 안정적입니다.
물리적 상태	바늘 모양(뭉쳐질 수 있음)
pKa(산도 계수)	7.0
색상	하얀색
생물학적 소스	synthetic
용해도	가수 분해
Merck	14,7542
BRN	2088311
안정성	수분에 민감한
화장품 원료 기능	피부 컨디셔닝
InChI	1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey	YBYRMVIVWMBXKQ-UHFFFAOYSA-N
SMILES	FS(=O)(=O)Cc1ccccc1
EPA	Benzenemethanesulfonyl fluoride (329-98-6)

화학적 성질

White to cream solid

안전 및 규제

위험 문구(R)
GHS 분류	DangerH301 (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.
규제 정보	Phenylmethanesulphonyl fluoride: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	Causes convulsions and multiple enzyme effects in acute intraperitoneal studies of mice[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsToxic by ingestionTargets the nerves, heart, blood, and eyes[Sigma-Aldrich MSDS] See Methanesulfonyl fluoride.
Hazard Classes and Categories	Acute Tox. 3 (99%)
노출 관리 및 개인 보호	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
유해 작용	Dermatotoxin - Skin burns.
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	XT8050000
운송 번호(UN)	UN 3261 8/PG 2
독성	LD50 (24 hr) in mice (mg/kg): 215 ±55 i.p. (Pinsky)
관세 코드	29241990

용도

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