2-アミノ-4-クロロベンズアミド

2-Amino-4-chlorobenzamide

HCID 12374837

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5900-59-4
標準SMILES: NC(=O)c1ccc(Cl)cc1N
InChIKey: QNEJYHVIYJFNHC-UHFFFAOYSA-N
分子式: C7H7ClN2O
平均分子量: 170.59 g/mol
単同位体質量: 170.0246905

名称と識別子

優先名称: 2-Amino-4-chlorobenzamide
IUPAC: 2-amino-4-chlorobenzamide
現地名: 2-アミノ-4-クロロベンズアミド
英語名: 2-amino-4-chlorobenzamide
分子式: C7H7ClN2O
分子量: 170.6

名称と別名

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

名称をさらに表示

2-アミノ-4-クロロベンズアミド4-Chloroanthranilamide2-aMino-4-chlrobenzaMide2-amino-4-chlorophenylformamide2-amino-4-chlorobenzamide(SALTDATA: FREE)

SCHEMBL1805947QNEJYHVIYJFNHC-UHFFFAOYSA-NBBL022498STL253498AKOS000113641CS-W003587SB37819FA140221

データベース識別子

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

物性

構造計算による物性

XLogP: 0.9
極性表面積: 69.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 163

物理化学的性質

融点: 181.5 °C · 181.5 °C
沸点: 308.8 · 308.8±27.0 °C(Predicted)
比重(密度): 1.394 · 1.394±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: solid
酸解離定数(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

安全と法規制

GHS分類

GHS Classification · 5 件

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.