(Phenylthio)acetyl chloride

HCID 4063350

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 7031-27-8
표준 SMILES: O=C(Cl)CSc1ccccc1
InChIKey: TWOLQIUHVMTAAE-UHFFFAOYSA-N
분자식: C8H7ClOS
평균 분자량: 186.66 g/mol
단동위원소 질량: 185.99061352

이름 및 식별자

우선 이름: (Phenylthio)acetyl chloride
IUPAC: 2-phenylsulfanylacetyl chloride
영어명: (PHENYLTHIO)ACETYL CHLORIDE
분자식: C8H7ClOS
분자량: 186.66

이름 및 동의어

(Phenylthio)acetyl chloride7031-27-8DTXSID60398915RefChem:70205DTXCID50349774628-372-5TWOLQIUHVMTAAE-UHFFFAOYSA-N2-phenylsulfanylacetyl ChlorideMFCD000544712-(PHENYLSULFANYL)ACETYL CHLORIDE2-(phenylthio)acetyl chloride(Phenylsulfanyl)acetyl chloride

이름 더 보기

2-phenylsulfanylacetylchloride(Phenylthio)acetyl chloride 97%Acetyl chloride, 2-(phenylthio)-2-(PHENYLTHIO)ACETYL CHLORIDE, TECH.(PHENYLTHIO)ACETYL CHLORIDE ISO 9001：2015 REACH

Thiophenoxyacetyl chloride(phenylthio)acetylchloridephenylsulfanylacetyl chloridePhenylmercaptoacetyl Chloridephenylsulfanyl-acetyl chlorideSCHEMBL153461(Phenylthio)acetyl chloride, 97%2-(phenylsulphanyl)acetyl chloride

데이터베이스 식별자

CAS: 7031-27-8
PubChem CID: 4063350
DTXSID: DTXSID60398915
EC Number: 628-372-5
Nikkaji: J1.058.288A

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 42.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

물리화학적 성질

끓는 점: 115 · 115-116 °C(Press: 3 Torr)
밀도: 1.258 g/mL · 1.258 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5825(lit.)
인화점: 230 °F · >230 °F
물리적 상태: liquid
InChI: 1S/C8H7ClOS/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey: TWOLQIUHVMTAAE-UHFFFAOYSA-N
SMILES: ClC(=O)CSc1ccccc1

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 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

일반 설명(Phenylthio)acetyl chloride is an acid halide. It participates in the Friedel -Crafts acylation of arenes to afford α-sulfenylated acetophenones.