5-클로로바닐린

3-Chloro-4-hydroxy-5-methoxybenzaldehyde

HCID 29622CAS 19463-48-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(C=O)cc(Cl)c1O
InChIKey: ONIVKFDMLVBDRK-UHFFFAOYSA-N
분자식: C8H7ClO3
평균 분자량: 186.59 g/mol
단동위원소 질량: 186.00837176

이름 및 식별자

우선 이름: 3-Chloro-4-hydroxy-5-methoxybenzaldehyde
IUPAC: 3-chloro-4-hydroxy-5-methoxybenzaldehyde
현지명: 5-클로로바닐린
영어명: 5-Chlorovanillin
분자식: C8H7ClO3
분자량: 186.59

이름 및 동의어

3-CHLORO-4-HYDROXY-5-METHOXYBENZALDEHYDE19463-48-05-Chlorovanillin3-ChlorovanillinVanillin, 5-chloro-6L2HJ5NXQ8NSC-45929RefChem:500551243-086-7Benzaldehyde, 3-chloro-4-hydroxy-5-methoxy-MFCD000169823-Chloro-4-hydroxy-5-methoxy-benzaldehyde

이름 더 보기

5-클로로바닐린AKOS B004155250G 500G 1KGAKOS BBS-000069845-CHLOROVANILLIN 97%5-Monochlorovanillin

3-chloro-4-hydroxy-5-methoxy benzaldehyde61670-76-65-chlorovanilline5-chloro vanillinEINECS 243-086-7NSC 459295-Chloro-4-hydroxy-3-methoxybenzaldehydeCHLORO-4-HYDROXY-3-METHOXYBENZALDEHYDE

데이터베이스 식별자

CAS: 19463-48-0、61670-76-6
PubChem CID: 29622
DTXSID: DTXSID9075161
ChEMBL: CHEMBL2205139
UNII: 6L2HJ5NXQ8
EC Number: 243-086-7
Nikkaji: J242.825C

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 162

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 165 · 165-169 °C(lit.)
끓는 점: 266.91 °C · 266.91°C (rough estimate)
밀도: 1.3245 · 1.3245 (rough estimate)
굴절률: 1.525 · 1.5250 (estimate)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 6.32 · 6.32±0.23(Predicted)
EPA: 3 · Benzaldehyde, 3-chloro-4-hydroxy-5-methoxy- (19463-48-0)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, P273, 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 40 reports by companies from 3 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
ridadr: UN 3077 9 / PGIII
HS 번호: 2913000090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

Drugs used to prevent SEIZURES or reduce their severity.

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

Agents that reduce the frequency or rate of spontaneous or induced mutations independently of the mechanism involved.

응용 분야

용도The product has been used for an oxidation reaction by laccase to form hydroxymethine quinone.

상·하류 제품 정보

상류 원료

하류 제품

AKOS B004665 3-(3-chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

연결된 노트

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