3-Hydroxybenzaldehyde (HCID 101)

개요

3-hydroxybenzaldehyde is a hydroxybenzaldehyde carrying a hydroxy substituent at position 3.

이름 및 식별자

우선 이름: 3-Hydroxybenzaldehyde
IUPAC: 3-hydroxybenzaldehyde
현지명: 3-히드록시벤즈알데히드
영어명: 3-Hydroxybenzaldehyde
분자식: C7H6O2
분자량: 122.12

이름 및 동의어

3-hydroxybenzaldehyde100-83-4m-Hydroxybenzaldehydem-FormylphenolBenzaldehyde, 3-hydroxy-3-Formylphenolmeta-HydroxybenzaldehydeBenzaldehyde, m-hydroxy-3-oxidanylbenzaldehydeDTXSID7059220NSC-35048Z2819J40E

이름 더 보기

3-하이드록시벤즈알데하이드3-히드록시벤즈알데히드hydroxybenzaldehydeMHB3-hydroxy-benzaldehydRoxatidine Impurity 33-HydroxybenzaL

CHEBI:16207RefChem:94257DTXCID8032461202-892-93-HYDROXY-BENZALDEHYDEMFCD000033683-hydroxy benzaldehydeNSC 3504

데이터베이스 식별자

CAS: 100-83-4
PubChem CID: 101
DTXSID: DTXSID7059220
ChEMBL: CHEMBL243816
ChEBI: CHEBI:16207
UNII: 8Z2819J40E
EC Number: 202-892-9
Nikkaji: J43.313F

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 101

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Benzaldehydes

Industrial compound

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

PesticidesInsecticides

LogP1.29

Vapor Pressure0.01 [mmHg]

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 100 · 100-103 °C(lit.)
끓는 점: 191 °C50 · 191 °C50 mm Hg(lit.)
밀도: 1.1179 · 1.1179
굴절률: 1.5286 · 1.5286 (estimate)
인화점: 191 °C/50mm · 191°C/50mm
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: DMSO 및 메탄올에 용해됨
물리적 상태: 결정성 분말
산도 계수 (pKa): 8.98 · 8.98(at 25℃)
색상: 희미한 노란색에서 밝은 갈색까지
수소이온지수(pH): 3 · 3-4 (H2O, 20℃)(saturated solution)
수용성: 녹는
BRN: 507099 · 507099
Henry's Law Constant: 3.9 · 3.9×103 mol/(m3Pa) at 25℃, Gaffney and Senum (1984)
주요 응용: 음식 및 음료개인 위생 관리제약
InChI: 1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
InChIKey: IAVREABSGIHHMO-UHFFFAOYSA-N
SMILES: Oc1cccc(C=O)c1
LogP: 1.29 · 1.290
NIST: 3 · Benzaldehyde, 3-hydroxy-(100-83-4)
EPA: 3 · Benzaldehyde, 3-hydroxy- (100-83-4)

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.7% (1 of 60) of reports.

Warning

H315 (90%): 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 60 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzaldehyde, 3-hydroxy-

Status: Active Update: 10-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17191

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

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See p-Hydroxybenzaldehyde and Benzaldehyde.

Hazard Classes and CategoriesSkin Irrit. 2 (90%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: CU6450000
HS 번호: 29124900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
F 고인화성물질: 8-9-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Use ClassificationInsecticides

General Manufacturing InformationBenzaldehyde, 3-hydroxy-: ACTIVE

응용 분야

용도3-Hydroxybenzaldehyde is used as an ionophore, during the development of an highly selective and sensitive PVC membrane sensor, which can be used as a Tb3+ ion selective electrode.

상·하류 제품 정보

상류 원료

하류 제품

1-HYDROXY-1-(3-HYDROXYPHENYL)-2-PROPANONE 3-(4-TERT-부틸페녹시)벤잘데하이드 3-(3-하이드록시페닐)프로피온산 (S)-(-)-7,7'-BIS[DI(3,5-DIMETHYLPHENYL)PHOSPHINO]-2,2',3,3'-TETRAHYDRO-1,1'-SPIROBIINDANE 1,1'-SPIROBIINDANE-7,7'-DIOL (11AR)-(+)-10,11,12,13-TETRAHYDRODIINDENO[7,1-DE:1',7'-FG][1,3,2]DIOXAPHOSPHOCIN-5-BIS(R)-1PHENYLETHYL]AMINE 3-벤질옥시벤즈알데히드 벤조푸란-2-카르복실산 2,3-디메톡시벤즈알데히드 메타라미놀 (11AR)-(+)-10,11,12,13-TETRAHYDRODIINDENO[7,1-DE:1',7'-FG][1,3,2]DIOXAPHOSPHOCIN-5-PHENOXY (11AR)-(+)-10,11,12,13-TETRAHYDRODIINDENO[7,1-DE:1',7'-FG][1,3,2]DIOXAPHOSPHOCIN-5-DIMETHYLAMINE

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

추가 설명

정의ChEBI: A hydroxybenzaldehyde carrying a hydroxy substituent at position 3.

연결된 노트

불러오는 중…

3-히드록시벤즈알데히드

기본 정보

개요