3,4-디벤질옥시벤즈알데히드

3,4-Bis(benzyloxy)benzaldehyde

HCID 79526CAS 5447-02-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIKey
XDDLXZHBWVFPRG-UHFFFAOYSA-N
분자식
C21H18O3
평균 분자량
318.4 g/mol
단동위원소 질량
318.12559443

이름 및 식별자

우선 이름
3,4-Bis(benzyloxy)benzaldehyde
IUPAC
3,4-bis(phenylmethoxy)benzaldehyde
현지명
3,4-디벤질옥시벤즈알데히드
영어명
3,4-Dibenzyloxybenzaldehyde
분자식
C21H18O3
분자량
318.37

이름 및 동의어

3,4-Dibenzyloxybenzaldehyde5447-02-93,4-Bis(benzyloxy)benzaldehyde3,4-bis(phenylmethoxy)benzaldehydeF36FJ659RXNSC 16747NSC-16747PROTOCATECHUALDEHYDE DIBENZYL ETHERBenzaldehyde, 3,4-dibenzyloxy-XDDLXZHBWVFPRG-UHFFFAOYSA-DTXSID10202871EINECS 226-662-2
이름 더 보기
3,4-디벤질옥시벤즈알데히드3,4-Dibenzyloxybenza4-Dibenzyloxybenzaldehyde3,4-benzyloxy benzaldehyde3,4-Dibenzyloxybenzaldhyde4,5-DIBENZYLOXYBENZALDEHYDEα,α'-Diphenylveratraldehyde3,4-Dibenzyloxybenzaldehyde>
3,4-DI(BENZYLOXY)BENZALDEHYDE.ALPHA.,.ALPHA.'-DIPHENYLVERATRALDEHYDERefChem:90980DTXCID40125362ALPHA,ALPHA'-DIPHENYLVERATRALDEHYDE226-662-2InChI=1/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2XDDLXZHBWVFPRG-UHFFFAOYSA-N

데이터베이스 식별자

CAS
5447-02-9
PubChem CID
79526
DTXSID
DTXSID10202871
UNII
F36FJ659RX
EC Number
226-662-2
Nikkaji
J149.832K

물성

구조 계산 물성

XLogP
4.3
극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
7
무거운 원자 수
24

물리화학적 성질

녹는점
91 · 91-94 °C (dec.) (lit.)
끓는 점
492.4 · 492.4±35.0 °C(Predicted)
밀도
1.176 · 1.176±0.06 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도
클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태
가루

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 85.7% (6 of 7) of all reports.

Warning

H341 (14.3%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]；H410 (14.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 6 of 7 reports by companies.；There is 1 notification provided by 1 of 7 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 08-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31323
Hazard Classes and CategoriesMuta. 2 (14.3%)；Aquatic Chronic 1 (14.3%)

규제 정보

Regulatory InformationStatus: Active Update: 08-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31323

안전 데이터

wgk
3
HS 번호
29125000
safety_code
22-24/25
F 고인화성물질
10
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야

용도3,4-Dibenzyloxybenzaldehyde (cas# 5447-02-9) is a compound useful in organic synthesis.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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