3,5-디메톡시벤즈알데하이드

3,5-Dimethoxybenzaldehyde

HCID 81747CAS 7311-34-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(C=O)cc(OC)c1
InChIKey: VFZRZRDOXPRTSC-UHFFFAOYSA-N
분자식: C9H10O3
평균 분자량: 166.17 g/mol
단동위원소 질량: 166.06299418

개요

3,5-Dimethoxybenzaldehyde is a dimethoxybenzene.

이름 및 식별자

우선 이름: 3,5-Dimethoxybenzaldehyde
IUPAC: 3,5-dimethoxybenzaldehyde
현지명: 3,5-디메톡시벤즈알데하이드
영어명: 3,5-Dimethoxybenzaldehyde
분자식: C9H10O3
분자량: 166.17

이름 및 동의어

3,5-Dimethoxybenzaldehyde7311-34-4Benzaldehyde, 3,5-dimethoxy-UNII-P82W3UJ5DTP82W3UJ5DTDTXSID50223388EINECS 230-772-6NSC 62667NSC-62667Benzaldehyde, 3,5-dimiethoxyRefChem:91565DTXCID50145879

이름 더 보기

3,5-디메톡시벤즈알데하이드3,5-디메톡시벤즈알데하이드(3,5-DIMETHOXYBENZALDEHYDE)3,5-디메톡시벤즈알데히드311-34-43,5-Dimetho3,5-DimethoxybenzaL3,5-Dimethoxybenzald3,5-Dimethoxybenzaldehye3,5-dimethoxybenzaldehdye3,5-DimethoxybenzeldehydePhloroglucinol Impurity 100

230-772-6InChI=1/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2HVFZRZRDOXPRTSC-UHFFFAOYSA-N3,5-dimethoxy-benzaldehydeMFCD000033663,5-dimethoxy benzaldehydeghl.PD_Mitscher_leg0.6943,5-Dimethoxybenzaldehyde, 98%

데이터베이스 식별자

CAS: 7311-34-4
PubChem CID: 81747
DTXSID: DTXSID50223388
ChEMBL: CHEMBL234037
ChEBI: CHEBI:173755
UNII: P82W3UJ5DT
EC Number: 230-772-6
Nikkaji: J148.005G

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 135

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 45 · 45-48 °C (lit.)
끓는 점: 151 °C/16 · 151 °C/16 mmHg (lit.)
밀도: 1.1708 · 1.1708 (rough estimate)
굴절률: 1.526 · 1.5260 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨)
물리적 상태: 결정질 고체
색상: 흰색에서 베이지색
수용성: 불용성
BRN: 2042374 · 2042374
InChI: 1S/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H3
InChIKey: VFZRZRDOXPRTSC-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cc(OC)cc(OC)c1
LogP: 1.53 · 1.530 (est)
NIST: 3 · 3,5-dimethoxybenzaldehyde(7311-34-4)

화학적 성질

white to beige crystalline solid

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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzaldehyde, 3,5-dimethoxy-

Benzaldehyde, 3,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29124990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
기존화학 물질: KE-11033
F 고인화성물질: 9
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

개요3,5-Dimethoxybenzaldehyde is an important raw material for chemical production and can be used for the synthesis of other organic compounds such as 3,5-Dimethoxybenzonitrile, 3,5-Dimethoxybenzylamine and 3,5-Dihydroxybenzaldehyde.

용도3,5-Dimethoxybenzaldehyde is used frequently as synthetic building block. 3,5-Dimethoxybenzaldehyde, is a benzaldehyde derivative, that can be used as a building block in the synthesis of more complex structures.

상·하류 제품 정보

하류 제품

공급사50 곳

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