4-Ethylbenzoyl chloride

HCID 85368CAS 16331-45-6

기본 정보

표준 SMILES: CCc1ccc(C(=O)Cl)cc1
InChIKey: AVTLLLZVYYPGFX-UHFFFAOYSA-N
분자식: C9H9ClO
평균 분자량: 168.62 g/mol
단동위원소 질량: 168.03419259

이름 및 식별자

우선 이름: 4-Ethylbenzoyl chloride
IUPAC: 4-ethylbenzoyl chloride
영어명: 4-Ethylbenzoyl chloride
분자식: C9H9ClO
분자량: 168.62

이름 및 동의어

4-Ethylbenzoyl chloride16331-45-6Benzoyl chloride, 4-ethyl-EINECS 240-404-6DTXSID80167564RefChem:98896DTXCID4090055240-404-6AVTLLLZVYYPGFX-UHFFFAOYSA-NInChI=1/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H4-ethylbenzoylchloridep-ethylbenzoyl chloride

이름 더 보기

SKL13194-EthylbenzoylTIMTEC-BB SBB006540ETHYLBENZOYL CHLORIDE4-Ethylbenzoyl chloride,97%4-Ethylbenzoic acid chloride4-ETHYLBENZOYL CHLORIDE, 98+%

4-ethylbenzene-1-carbonyl chlorideMFCD000006974-ethyl benzoyl chloride4-EthYl-Benzoyl Chloride4-ethyl benzoyl choride4-Ethylbenzoyl chloride, 97%AKOS004908205AS-31045

데이터베이스 식별자

CAS: 16331-45-6
PubChem CID: 85368
DTXSID: DTXSID80167564
EC Number: 240-404-6
Nikkaji: J202.622H

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

실험 및 물리화학적 성질

SpringerMaterials PropertiesCoriolis coupling

물리화학적 성질

끓는 점: 235 · 235-236 °C(lit.)
밀도: 1.147 g/mL · 1.147 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5479(lit.)
인화점: 230 °F · >230 °F
저장 조건: RT, stored under nitrogen
물리적 상태: 액체
Specific Gravity: 1.147 · 1.147
색상: 맑은 노란색에서 노란색까지
BRN: 2206041 · 2206041
InChI: 1S/C9H9ClO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3
InChIKey: AVTLLLZVYYPGFX-UHFFFAOYSA-N
SMILES: CCc1ccc(cc1)C(Cl)=O
NIST: 4 · 4-Ethylbenzoyl chloride(16331-45-6)

화학적 성질

clear light yellow to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (56.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 98 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.