2-Amino-5-chloro-3-nitrobenzoic acid

HCID 232055CAS 6324-51-2

기본 정보

표준 SMILES: Nc1c(C(=O)O)cc(Cl)cc1[N+](=O)[O-]
InChIKey: BKTMGBPFFCRHST-UHFFFAOYSA-N
분자식: C7H5ClN2O4
평균 분자량: 216.58 g/mol
단동위원소 질량: 215.9937843

이름 및 식별자

우선 이름: 2-Amino-5-chloro-3-nitrobenzoic acid
IUPAC: 2-amino-5-chloro-3-nitrobenzoic acid
영어명: 2-AMINO-5-CHLORO-3-NITROBENZOIC ACID
분자식: C7H5ClN2O4
분자량: 216.58

이름 및 동의어

2-amino-5-chloro-3-nitrobenzoic acid6324-51-2DTXSID10283004RefChem:464551DTXCID90234155100-696-72-amino-5-chloro-3-nitro-benzoic acidMFCD08752983NSC29083SCHEMBL5053805-Chloro-3-nitroanthranilic acidBKTMGBPFFCRHST-UHFFFAOYSA-N

이름 더 보기

Benzoic acid, 2-amino-5-chloro-3-nitro-5-CHLORO-3-NITROANTHRANILIC ACID, 2-AMINO-5-CHLORO-3-NITROBENZOIC ACID

GAA32451NSC-29083AKOS005064504AB49025AT22707DA-04176CS-0145413

데이터베이스 식별자

CAS: 6324-51-2
PubChem CID: 232055
DTXSID: DTXSID10283004
EC Number: 100-696-7

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 109 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 255

물리화학적 성질

녹는점: 240 °C · 240 °C
끓는 점: 400.4 · 400.4±45.0 °C(Predicted)
밀도: 1.691 · 1.691±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.83 · 3.83±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.