4-벤질옥시벤질 클로라이드

(4-(Benzyloxy)phenyl)methanol

HCID 70043CAS 836-43-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCc1ccc(OCc2ccccc2)cc1
InChIKey: OEBIVOHKFYSBPE-UHFFFAOYSA-N
분자식: C14H14O2
평균 분자량: 214.26 g/mol
단동위원소 질량: 214.09937969

개요

4-Benzyloxybenzyl alcohol is a benzyl ether.

이름 및 식별자

우선 이름: (4-(Benzyloxy)phenyl)methanol
IUPAC: (4-phenylmethoxyphenyl)methanol
현지명: 4-벤질옥시벤질 클로라이드
영어명: 4-Benzyloxybenzyl alcohol
분자식: C14H14O2
분자량: 214.26

이름 및 동의어

836-43-1(4-(benzyloxy)phenyl)methanolp-Benzyloxybenzyl alcohol[4-(Benzyloxy)phenyl]methanol4-(Benzyloxy)benzyl alcoholBenzenemethanol, 4-(phenylmethoxy)-MFCD00004654(4-phenylmethoxyphenyl)methanol2YM4AM9F9JST50308574CHEBI:294864-Benzyloxybenzyl alcohol, 97%

이름 더 보기

4-벤질옥시벤질클로라이드4-벤질옥시벤질클로라이드ZERENEX E/4047913RARECHEM AL BD 00874-Benzyloxybenzyl alcoholp-benzyloxybenzyl chloride4-(Benzyloxy)benzenemethanolP-BENZYLOXYBENZYL ALCOHOL 99%4-BENZYLOXYBENZYL ALCOHOL 98%4-Benzyloxybenzyl alcohol,97%

[4-(Benzyloxy)phenyl]methanol #NSC-131675Z262320924-BenzyloxybenzylalcoholStratoSpheres(TM) PL-Wang resin, 100-200 mesh, extent of labeling: 1.7 mmol/g loading, 1 % cross-linked4-(PHENYLMETHOXY)BENZENEMETHANOL(4-Benzyloxyphenyl)methanol; 4-(Benzyloxy)benzyl Alcohol; 4-(Phenylmethoxy)benzenemethanol; NSC 131675AMY30258

데이터베이스 식별자

CAS: 836-43-1
PubChem CID: 70043
DTXSID: DTXSID50232450
ChEMBL: CHEMBL3278094
ChEBI: CHEBI:29486
UNII: 2YM4AM9F9J
EC Number: 212-649-9
Nikkaji: J195.110F

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 179

물리화학적 성질

녹는점: 86 · 86-87 °C(lit.)
끓는 점: 314.4 °C · 314.4°C (rough estimate)
밀도: 1.0781 · 1.0781 (rough estimate)
굴절률: 1.53 · 1.5300 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: 가루
산도 계수 (pKa): 14.52 · 14.52±0.10(Predicted)
색상: 회백색
BRN: 1877819 · 1877819
InChI: InChI=1S/C14H14O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2
InChIKey: OEBIVOHKFYSBPE-UHFFFAOYSA-N
SMILES: C1(CO)=CC=C(OCC2=CC=CC=C2)C=C1

화학적 성질

OFF-WHITE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29062990
risk_code: 36/38-36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 22-24/25-36-26
위험 등급: IRRITANT
기존화학 물질: KE-05-0199
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Benzyloxybenzyl alcohol was used in the synthesis of:13C-labelled derivatives of the isoflavonoid phytoestrogens, genistein, biochanin A, daidzein and formononetinbenzyl4-(tert-butyldiphenylsiloxy-M1-carbamoyloxymethyl)phenylether