2-클로로-4-히드록시벤즈알데히드

2-Chloro-4-hydroxybenzaldehyde

HCID 185363CAS 56962-11-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(O)cc1Cl
InChIKey: ZMOMCILMBYEGLD-UHFFFAOYSA-N
분자식: C7H5ClO2
평균 분자량: 156.56 g/mol
단동위원소 질량: 155.99780708

이름 및 식별자

우선 이름: 2-Chloro-4-hydroxybenzaldehyde
IUPAC: 2-chloro-4-hydroxybenzaldehyde
현지명: 2-클로로-4-히드록시벤즈알데히드
영어명: 2-Chloro-4-hydroxybenzaldehyde
분자식: C7H5ClO2
분자량: 156.57

이름 및 동의어

2-Chloro-4-hydroxybenzaldehyde56962-11-9Benzaldehyde, 2-chloro-4-hydroxy-DTXSID10901216RefChem:469007DTXCID301329595623-499-2InChI=1/C7H5ClO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10MFCD000521842-chloro-4-hydroxy-benzaldehydeBenzaldehyde, chloro-4-hydroxy-SCHEMBL115174

이름 더 보기

2-클로로-4-히드록시벤즈알데히드TIMTEC-BB SBB0040144-Bromo-4-fluoroacetophenone2-Chloro-4-hydroxybenzaldehyde, 97%,2-CHLORO-4-HYDROXYBENZALDEHYDE 99% &2-Chloro-4-hydroxybenzaldehyde ISO 9001：2015 REACH(1R)-1-(3-bromoisoquinolin-7-yl)-2-phenylethan-1-amine

94650-94-9GS-3327Z1255419357BCP168362 -CHLORO-4-HYDROXYBENZALDEHYDEFT-0601206A8312642-Chlor-4-hydroxy-benzaldehyd

데이터베이스 식별자

CAS: 56962-11-9、94650-94-9
PubChem CID: 185363
DTXSID: DTXSID10901216
EC Number: 623-499-2
Nikkaji: J1.353.822K

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 127

물리화학적 성질

녹는점: 145 · 145-147 °C (lit.)
끓는 점: 272.5 · 272.5±20.0 °C(Predicted)
밀도: 1.404 · 1.404±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 유기 용매에 용해됩니다.
산도 계수 (pKa): 6.81 · 6.81±0.18(Predicted)
물리적 상태: solid
InChI: InChI=1S/C7H5ClO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10H
InChIKey: ZMOMCILMBYEGLD-UHFFFAOYSA-N
SMILES: C(=O)C1=CC=C(O)C=C1Cl
NIST: 2 · Benzaldehyde, 2-chloro-4-hydroxy-(56962-11-9)

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 42 reports by companies from 5 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: 29124900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Chloro-4-hydroxybenzaldehyde, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

일반 설명N-Thioamide thiosemicarbazone derivatives of 2-chloro-4-hydroxy-benzaldehyde have been prepared. pK values for acid dissociation of 2-chloro-4-hydroxybenzaldehyde has been evaluated.