3-클로로로실산

3-Chlorosalicylic acid

HCID 74585

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1829-32-9
표준 SMILES: O=C(O)c1cccc(Cl)c1O
InChIKey: PPINMMULCRBDOS-UHFFFAOYSA-N
분자식: C7H5ClO3
평균 분자량: 172.56 g/mol
단동위원소 질량: 171.9927217

이름 및 식별자

우선 이름: 3-Chlorosalicylic acid
IUPAC: 3-chloro-2-hydroxybenzoic acid
현지명: 3-클로로로실산
영어명: 3-Chlorosalicylic acid
분자식: C7H5ClO3
분자량: 172.57

이름 및 동의어

3-Chlorosalicylic acid3-Chloro-2-hydroxybenzoic acid1829-32-9Benzoic acid, 3-chloro-2-hydroxy-Salicylic acid, 3-chloro-CQE9J25ZESNSC 18854DTXSID10171356EINECS 217-379-5NSC-18854RefChem:93544DTXCID0093847

이름 더 보기

3-클로로로실산3-chloro-2-hydroxybenzoate3-Chlorosalicylic acid 98%3-Chlorosalicylic acid,98%3-chloro-2-hydroxybenzoiacid2-Hydroxy-3-chlorobenzoic acid

Salicylic acid, 3-chloro-(8CI)Benzoic acid, 3-chloro-2-hydroxy-(9CI)217-379-5InChI=1/C7H5ClO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11PPINMMULCRBDOS-UHFFFAOYSA-NMFCD00010390Benzoic acid, chloro-2-hydroxy-3-chloro-2-hydroxy-benzoic acid

데이터베이스 식별자

CAS: 1829-32-9
PubChem CID: 74585
DTXSID: DTXSID10171356
UNII: CQE9J25ZES
EC Number: 217-379-5
Nikkaji: J199.646K

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 184 · 184-186 °C(lit.)
끓는 점: 291.7 · 291.7±25.0 °C(Predicted)
밀도: 0.863 g/cm3 · 0.863 g/cm3
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(적게), 메탄올(약간)에 용해됨
산도 계수 (pKa): 2.43 · 2.43±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
InChI: InChI=1S/C7H5ClO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)
InChIKey: PPINMMULCRBDOS-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=CC(Cl)=C1O
NIST: 3 · 3-Chlorosalicylic acid(1829-32-9)

화학적 성질

White 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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information3-Chlorosalicylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)