2-아미노-4-클로로벤즈아미드

2-Amino-4-chlorobenzamide

HCID 12374837CAS 5900-59-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=O)c1ccc(Cl)cc1N
InChIKey: QNEJYHVIYJFNHC-UHFFFAOYSA-N
분자식: C7H7ClN2O
평균 분자량: 170.59 g/mol
단동위원소 질량: 170.0246905

이름 및 식별자

우선 이름: 2-Amino-4-chlorobenzamide
IUPAC: 2-amino-4-chlorobenzamide
현지명: 2-아미노-4-클로로벤즈아미드
영어명: 2-amino-4-chlorobenzamide
분자식: C7H7ClN2O
분자량: 170.6

이름 및 동의어

2-amino-4-chlorobenzamide5900-59-4DTXSID20495035RefChem:85192DTXCID90445845809-310-82-Amino-4-chloro-benzamideMFCD09042792Benzamide, 2-amino-4-chloro-2-Amino-4-chlorbenzamid2-Amino4-chlorobenzamideSCHEMBL160570

이름 더 보기

2-아미노-4-클로로벤즈아미드4-Chloroanthranilamide2-aMino-4-chlrobenzaMide2-amino-4-chlorophenylformamide2-amino-4-chlorobenzamide(SALTDATA: FREE)

SCHEMBL1805947QNEJYHVIYJFNHC-UHFFFAOYSA-NBBL022498STL253498AKOS000113641CS-W003587SB37819FA140221

데이터베이스 식별자

CAS: 5900-59-4
PubChem CID: 12374837
DTXSID: DTXSID20495035
EC Number: 809-310-8
Nikkaji: J2.077.305G

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 69.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 181.5 °C · 181.5 °C
끓는 점: 308.8 · 308.8±27.0 °C(Predicted)
밀도: 1.394 · 1.394±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: solid
산도 계수 (pKa): 15.48 · 15.48±0.50(Predicted)
InChI: 1S/C7H7ClN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11)
InChIKey: QNEJYHVIYJFNHC-UHFFFAOYSA-N
SMILES: O=C(N)C(C(N)=C1)=CC=C1Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 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.