4-(트리플루오로메톡시)벤젠술포닐클로라이드

p-(Trifluoromethoxy)benzenesulphonyl chloride

HCID 523102CAS 94108-56-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(Cl)c1ccc(OC(F)(F)F)cc1
InChIKey: UHCDBMIOLNKDHG-UHFFFAOYSA-N
분자식: C7H4ClF3O3S
평균 분자량: 260.62 g/mol
단동위원소 질량: 259.95217733

이름 및 식별자

우선 이름: p-(Trifluoromethoxy)benzenesulphonyl chloride
IUPAC: 4-(trifluoromethoxy)benzenesulfonyl chloride
현지명: 4-(트리플루오로메톡시)벤젠술포닐클로라이드
영어명: 4-(Trifluoromethoxy)benzenesulfonyl chloride
분자식: C7H4ClF3O3S
분자량: 260.62

이름 및 동의어

4-(Trifluoromethoxy)benzenesulfonyl chloride4-(trifluoromethoxy)benzene-1-sulfonyl chlorideBenzenesulfonyl chloride, 4-(trifluoromethoxy)-p-(Trifluoromethoxy)benzenesulphonyl chlorideEPX2F6S77T4-(Trifluoromethoxy)phenylsulfonyl chlorideEINECS 302-397-9DTXSID00240580RefChem:169270DTXCID30163071302-397-994108-56-2

이름 더 보기

4-(트리플루오로메톡시)벤젠술포닐클로라이드BUTTPARK 21\07-19uoromethoxy)benzenesuL4-TRIFLUOROMETHOXYPHENYL-SULFONYLCHLORIDE4-(Trifluoromethoxy)benzensulphonyl chloridep-(Trifluoromethoxy)benzenesulfonyl Chloride

4-(Trifluoromethoxy)benzenesulphonyl chlorideMFCD000424084-Trifluoromethoxyphenylsulfonyl chloride4-(trifluoromethoxy)benzensulfonylchloride4-trifluoromethoxy-benzenesulfonylchlorideUNII-EPX2F6S77TSCHEMBL65853ALBB-008912

데이터베이스 식별자

CAS: 94108-56-2
PubChem CID: 523102
DTXSID: DTXSID00240580
UNII: EPX2F6S77T
EC Number: 302-397-9
Nikkaji: J318.741A

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 300

물리화학적 성질

끓는 점: 120 · 120-122 °C (15 mmHg)
밀도: 1.536 g/mL · 1.536 g/mL at 25 °C (lit.)
증기압: 0.23 psi · 0.23 psi ( 20 °C)
굴절률: 20 · n20/D 1.479(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
Specific Gravity: 1.536 · 1.536
BRN: 7641524 · 7641524
InChI: 1S/C7H4ClF3O3S/c8-15(12,13)6-3-1-5(2-4-6)14-7(9,10)11/h1-4H
InChIKey: UHCDBMIOLNKDHG-UHFFFAOYSA-N
SMILES: FC(F)(F)Oc1ccc(cc1)S(Cl)(=O)=O
NIST: 4 · Benzenesulfonyl chloride, 4-(trifluoromethoxy)-(94108-56-2)

화학적 성질

Clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.