Benzoyl chloride, 4-(hexyloxy)-

HCID 170235CAS 39649-71-3

기본 정보

표준 SMILES: CCCCCCOc1ccc(C(=O)Cl)cc1
InChIKey: DQQOONVCLQZWOY-UHFFFAOYSA-N
분자식: C13H17ClO2
평균 분자량: 240.72 g/mol
단동위원소 질량: 240.09170746

이름 및 식별자

우선 이름: Benzoyl chloride, 4-(hexyloxy)-
IUPAC: 4-hexoxybenzoyl chloride
영어명: 4-N-HEXYLOXYBENZOYL CHLORIDE
분자식: C13H17ClO2
분자량: 240.73

이름 및 동의어

39649-71-34-(Hexyloxy)benzoyl chloride4-n-Hexyloxybenzoyl chloride4-Hexyloxybenzoyl chlorideBenzoyl chloride, 4-(hexyloxy)-EINECS 254-561-3DTXSID6068193RefChem:566459DTXCID3039666254-561-34-hexoxybenzoyl chloridep-Hexyloxybenzoyl chloride

이름 더 보기

4-HeLABOTEST-BB LT001590324-(hexyloxy)-benzoylchloridP-(HEXYLOXY)BENZOYL CHLORIDE4-Hexyloxybenzoyl chloride,98%4-n-Hexyloxybenzoylchloride,98%

MFCD00000690844TDH4A8P4-(Hexyloxy)benzoylchloride4-hexyloxy-benzoyl chlorideUNII-844TDH4A8P4-hexyloxybenzoic acid chlorideSCHEMBL1022325SBB057135

데이터베이스 식별자

CAS: 39649-71-3
PubChem CID: 170235
DTXSID: DTXSID6068193
UNII: 844TDH4A8P
EC Number: 254-561-3
Nikkaji: J28.745H

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 7
무거운 원자 수: 16
형식 전하: 0
복잡도: 198

물리화학적 성질

끓는 점: 213 · 213-214 °C30 mm Hg(lit.)
밀도: 1.081 g/mL · 1.081 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5383(lit.)
인화점: 230 °F · >230 °F
Specific Gravity: 1.081 · 1.081
BRN: 2210619 · 2210619
EPA: 4 · Benzoyl chloride, 4-(hexyloxy)- (39649-71-3)

화학적 성질

clear slightly 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 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.