3-FLUORO-4-메틸벤젠설폰일클로라이드

3-Fluoro-4-methylbenzene-1-sulfonyl chloride

HCID 2778600

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 90260-13-2
표준 SMILES: Cc1ccc(S(=O)(=O)Cl)cc1F
InChIKey: YDUHIMCRFRIVFI-UHFFFAOYSA-N
분자식: C7H6ClFO2S
평균 분자량: 208.64 g/mol
단동위원소 질량: 207.97610633

이름 및 식별자

우선 이름: 3-Fluoro-4-methylbenzene-1-sulfonyl chloride
IUPAC: 3-fluoro-4-methylbenzenesulfonyl chloride
현지명: 3-FLUORO-4-메틸벤젠설폰일클로라이드
영어명: 3-Fluoro-4-methylbenzenesulfonyl chloride
분자식: C7H6ClFO2S
분자량: 208.64

이름 및 동의어

3-fluoro-4-methylbenzene-1-sulfonyl chlorideRefChem:501786626-184-890260-13-23-Fluoro-4-methylbenzenesulfonyl chloride3-fluoro-4-methylbenzenesulphonyl chlorideMFCD03094389Benzenesulfonyl chloride, 3-fluoro-4-methyl-3-fluoro-4-methyl-benzenesulfonyl ChlorideSCHEMBL18593DTXSID40381022AKOS000143264

이름 더 보기

3-FLUORO-4-메틸벤젠설폰일클로라이드BUTTPARK 145\11-133-Fluoro-p-toluenesulphonyl chloride-Fluoro-4-methylbenzenesulfonyl chloride3-Fluoro-4-methylbenzenesulphonylchloride98%3-Fluoro-4-methylbenzenesulfonyl chloride 97%

AS-477913-fluoro-4-methylbenzene-1-sulfonylchlorideZ228589110chloro(3-fluoro-4-methylphenyl)sulfone3-fluoro-4-methylphenylsulfonyl chloride3-FLUORO-P-TOLUENESULFONYL CHLORIDEAM62535Benzenesulfonyl chloride, 3

데이터베이스 식별자

CAS: 90260-13-2
PubChem CID: 2778600
DTXSID: DTXSID40381022
EC Number: 626-184-8

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 247

물리화학적 성질

녹는점: 46 · 46-50 °C (lit.)
끓는 점: 258.563 · 258.563±28.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.423 · 1.423±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
인화점: 110 °C · >110°C
저장 조건: 2 · 2-8°C
물리적 상태: 융합된 고체
색상: 갈색
InChI: 1S/C7H6ClFO2S/c1-5-2-3-6(4-7(5)9)12(8,10)11/h2-4H,1H3
InChIKey: YDUHIMCRFRIVFI-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1F)S(Cl)(=O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 2904990090
risk_code: 34
hazard_code: C,Xi
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도3-Fluoro-4-methylbenzenesulfonyl Chloride can be prepared to use as GCN2 modulators to treat, prevent, ameliorate, control, or reduce disorders related to GCN2.