2-Amino-5-chlorobenzoic acid

HCID 12476CAS 635-21-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Nc1ccc(Cl)cc1C(=O)O
InChIKey
IFXKXCLVKQVVDI-UHFFFAOYSA-N
분자식
C7H6ClNO2
평균 분자량
171.58 g/mol
단동위원소 질량
171.00870611

개요

2-amino-5-chlorobenzoic acid is a member of the class of chlorobenzoic acids that is benzoic acid in which the ring hydrogens at positions 2 and 5 are replaced by amino and chloro groups, respectively. It is an aminobenzoic acid, a chlorobenzoic acid and a member of monochlorobenzenes.

이름 및 식별자

우선 이름
2-Amino-5-chlorobenzoic acid
IUPAC
2-amino-5-chlorobenzoic acid
영어명
2-Amino-5-chlorobenzoic acid
분자식
C7H6ClNO2
분자량
171.58

이름 및 동의어

2-AMINO-5-CHLOROBENZOIC ACID635-21-25-Chloroanthranilic acid5-Chloro-2-aminobenzoic acidBenzoic acid, 2-amino-5-chloro-Anthranilic acid, 5-chloro-2-carboxy-4-chloroanilineUNII-Z2Y66JMI31Z2Y66JMI31AI3-15229EINECS 211-230-8NSC 404157
이름 더 보기
2-Amino-5-chLRARECHEM AL BO 02885-ChloranthranilsureOTAVA-BB BB70200407725-Chloro-2-amino acid2-amino-5-chloro-benzoicaci
NSC-404157DTXSID8060901CHEBI:1668535Chloroanthranilic acidRefChem:852605Chloro2aminobenzoic acidAnthranilic acid, 5chloroBenzoic acid, 2amino5chloro

데이터베이스 식별자

CAS
635-21-2
PubChem CID
12476
DTXSID
DTXSID8060901
ChEMBL
CHEMBL36767
ChEBI
CHEBI:166853
UNII
Z2Y66JMI31
EC Number
211-230-8
Nikkaji
J96.204J

물성

구조 계산 물성

XLogP
1.6
극성 표면적
63.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids
LogP2.0
Vapor Pressure0.0000532 [mmHg]
Physical DescriptionTan chunks or powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
204 · 204-206 °C (dec.) (lit.)
끓는 점
250 °C · 250°C (rough estimate)
밀도
1.3246 · 1.3246 (rough estimate)
굴절률
1.556 · 1.5560 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

White to light yellow crystal 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzoic acid, 2-amino-5-chloro-

2-Amino-5-chlorobenzoic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29224999
risk_code
36/37/38-37/38-36
hazard_code
Xi
safety_code
26-36-37/39

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 2-amino-5-chloro-: ACTIVE

응용 분야

용도2-Amino-5-chlorobenzoic acid is a chlorinated derivative of antharilic acid,it is a metabolite of the pesticide Chlordimeform and it is used in the preparation of disease-modifying antirheumatic drugs (DMARDs).

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

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2-Amino-5-chlorobenzoic acid (HCID 12476)｜Huagongshe