3-페녹시벤질염화물

3-Phenoxybenzyl chloride

HCID 93291CAS 53874-66-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: ClCc1cccc(Oc2ccccc2)c1
InChIKey: QUYVTGFWFHQVRO-UHFFFAOYSA-N
분자식: C13H11ClO
평균 분자량: 218.68 g/mol
단동위원소 질량: 218.04984265

이름 및 식별자

우선 이름: 3-Phenoxybenzyl chloride
IUPAC: 1-(chloromethyl)-3-phenoxybenzene
현지명: 3-페녹시벤질염화물
영어명: 3-Phenoxybenzyl chloride
분자식: C13H11ClO
분자량: 218.68

이름 및 동의어

3-Phenoxybenzyl chloride53874-66-11-(Chloromethyl)-3-phenoxybenzeneBenzene, 1-(chloromethyl)-3-phenoxy-DTXSID00202128Q8R767G4B4RefChem:95295DTXCID00124619258-831-1m-Phenoxybenzyl chloridePermethrin EP Impurity E3-Phenoxyphenylmethyl chloride

이름 더 보기

3-페녹시벤질염화물AKOS BBS-00006407-3-phenoxybenzeneTIMTEC-BB SBB005575Permethrin Impurity E3-Phenoxybenzyl chloride,98%3-Phenoxybenzyl chloride 98%

MFCD000408663-(Chloromethyl)diphenyl ether52322-81-33-Phenoxybenzylchloride3-(chloromethyl)-1-phenoxybenzeneEINECS 258-831-1BRN 2212101m-phenoxy-benzyl chloride

데이터베이스 식별자

CAS: 53874-66-1
PubChem CID: 93291
DTXSID: DTXSID00202128
UNII: Q8R767G4B4
EC Number: 258-831-1
Nikkaji: J31.983J

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 177

물리화학적 성질

끓는 점: 141 · 141-142 °C (lit.)
밀도: 1.189 g/mL · 1.189 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5900(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 액체
Specific Gravity: 1.16 · 1.16
BRN: 2212101 · 2212101
InChI: InChI=1S/C13H11ClO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2
InChIKey: QUYVTGFWFHQVRO-UHFFFAOYSA-N
SMILES: C1(CCl)=CC=CC(OC2=CC=CC=C2)=C1

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information3-Phenoxybenzyl chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (100%)