3,5-Dihydroxybenzaldehyde

HCID 94365CAS 26153-38-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1cc(O)cc(O)c1
InChIKey: HAQLHRYUDBKTJG-UHFFFAOYSA-N
분자식: C7H6O3
평균 분자량: 138.12 g/mol
단동위원소 질량: 138.03169405

개요

3,5-dihydroxybenzaldehyde is a dihydroxybenzaldehyde.

이름 및 식별자

우선 이름: 3,5-Dihydroxybenzaldehyde
IUPAC: 3,5-dihydroxybenzaldehyde
영어명: 3,5-Dihydroxybenzaldehyde
분자식: C7H6O3
분자량: 138.12

이름 및 동의어

3,5-Dihydroxybenzaldehyde26153-38-8Benzaldehyde, 3,5-dihydroxy-EINECS 247-479-4DTXSID60180776.alpha.-Resorcylic aldehydeCHEBI:50204RefChem:91543alpha-Resorcylic aldehydeDTXCID00103267247-479-4HAQLHRYUDBKTJG-UHFFFAOYSA-N

이름 더 보기

yde3,5-DihydroxybenzaLTerbutaline Impurity 433,5-DIHYDOXYBENZAL DEHYDE3,5-2-hydroxybenzaldehyde3,5-Dihydroxybenzaldehyde,98%3,5-Dihydroxybenzaldehyde 98%

InChI=1/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10MFCD000166113,5-dihydroxy benzaldehydeSCHEMBL37131AKOS005258327CS-W007416AS-32854PD131130

데이터베이스 식별자

CAS: 26153-38-8
PubChem CID: 94365
DTXSID: DTXSID60180776
ChEBI: CHEBI:50204
UNII: P9FU6Z2MAA
EC Number: 247-479-4
Nikkaji: J20.078F

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 114

물리화학적 성질

녹는점: 153 · 153-158 °C (lit.)
끓는 점: 324.3 · 324.3±12.0 °C(Predicted)
밀도: 1.409 · 1.409±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 에탄올과 디에틸 에테르에 용해됩니다.
물리적 상태: 결정성 분말
산도 계수 (pKa): 8.73 · 8.73±0.10(Predicted)
색상: 흰색에서 황갈색, 회색까지
BRN: 1930147 · 1930147
InChI: InChI=1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H
InChIKey: HAQLHRYUDBKTJG-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(O)=CC(O)=C1
LogP: 0.973 · 0.973 (est)

화학적 성질

White to tan to grey crystalline 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 5 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: 29124990
risk_code: 36/37/38-22
hazard_code: Xi
safety_code: 22-24/25-37/39-26
위험 등급: IRRITANT, AIR SENSITIVE
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 3건

개요3,5-Dihydroxybenzaldehyde is a building block. It has been used in the synthesis of 2,4-dimethylbenzoylhydrazones with antileishmanial and antioxidant activities.

용도3,5-Dihydroxybenzaldehyde is suitable for use in the synthesis of 3,5-dihydroxyphenylglycine (3,5-DHPG). It may be used in the synthesis of:fulgide73,5-bis(undeca-4,6-diynyloxy)benzaldehyde3,5-didodecyloxybenzaldehyde1′-methyl-1′,5′-dihydro-2′-(3,5-bis(undeca-4,6-diynyloxy)phenyl)-1H-pyrrolo[3′,4′:1,9](C60-Ih)[5,6]fullerene (F2D)

일반 설명Condensation of isopropyl ethers of p-hydroxyphenyl acetic acid and 3,5-dihydroxybenzaldehyde has been reported.