4-(BENZYLOXY)벤조일염화물

4-Benzyloxybenzoylchloride

HCID 3766410CAS 1486-50-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(Cl)c1ccc(OCc2ccccc2)cc1
InChIKey: ICEKEZSKMGHZNT-UHFFFAOYSA-N
분자식: C14H11ClO2
평균 분자량: 246.69 g/mol
단동위원소 질량: 246.04475727

이름 및 식별자

우선 이름: 4-Benzyloxybenzoylchloride
IUPAC: 4-phenylmethoxybenzoyl chloride
현지명: 4-(BENZYLOXY)벤조일염화물
영어명: 4-(Benzyloxy)benzoyl chloride
분자식: C14H11ClO2
분자량: 246.69

이름 및 동의어

4-BenzyloxybenzoylchlorideRefChem:518537628-407-44-(benzyloxy)benzoyl chloride1486-50-64-phenylmethoxybenzoyl ChlorideBenzoyl chloride, 4-(phenylmethoxy)-4-benzyloxybenzoyl chlorideMFCD022580414-Benzyloxy-benzoyl chloridep-Benzoxybenzoylchlorid4-benzyloxybenzoic chloride

이름 더 보기

4-(BENZYLOXY)벤조일염화물AKOS BB-8601ASISCHEM B52692ART-CHEM-BB B025594LABOTEST-BB LT012772614-benyloxy benzoyl chloride4-Benzyloxybenzoylchloride 95%

4-benzyloxy benzoyl chlorideSCHEMBL2282904-(phenylmethoxy)benzoyl chloride4-(phenylmethoxy) benzoyl chloride4-chlorocarbonylphenoxy phenyl methane4-benzyloxybenzoic acid chloridep-benzyloxybenzoyl chloridep-benzyloxy-benzoyl chloride

데이터베이스 식별자

CAS: 1486-50-6
PubChem CID: 3766410
DTXSID: DTXSID10396123
EC Number: 628-407-4
Nikkaji: J1.284.912E

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 241

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical structure

물리화학적 성질

녹는점: 97 · 97-105 °C
끓는 점: 383.8 · 383.8±17.0 °C(Predicted)
밀도: 1.23 · 1.230±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder
InChI: 1S/C14H11ClO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey: ICEKEZSKMGHZNT-UHFFFAOYSA-N
SMILES: ClC(=O)c1ccc(OCc2ccccc2)cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, 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.