CAS 98995-06-3 4-amino-2-chloro-N,N-dimethylbenzamide (HCID 10943480)

基本情報

CAS: 98995-06-3
標準SMILES: CN(C)C(=O)c1ccc(N)cc1Cl
InChIKey: HYYZVBNRQCDKET-UHFFFAOYSA-N
分子式: C9H11ClN2O
平均分子量: 198.65 g/mol
単同位体質量: 198.0559907

名称と識別子

優先名称: 4-amino-2-chloro-N,N-dimethylbenzamide
IUPAC: 4-amino-2-chloro-N,N-dimethylbenzamide
現地名: 4-アミノ-2-クロロ-N,N-ジメチルベンズアミド
英語名: 4-amino-2-chloro-N,N-dimethylbenzamide
分子式: C9H11ClN2O
分子量: 198.65

名称と別名

4-amino-2-chloro-N,N-dimethylbenzamide98995-06-3DTXSID40449237RefChem:289819DTXCID70400058Benzamide, 4-amino-2-chloro-N,N-dimethyl-MFCD097349304-amino-2-chloro-N,N-dimethyl-benzamideSCHEMBL3174627HYYZVBNRQCDKET-UHFFFAOYSA-NYDA99506BBL031422

名称をさらに表示

4-アミノ-2-クロロ-N,N-ジメチルベンズアミドOTAVA-BB 1134976UKRORGSYN-BB BBV-0278922-Chloro-4-amino-N,N-dimethylbenzamide4-amino-2-chloro-N,N-dimethylbenzamide(SALTDATA: FREE)

STK862462AKOS000103449VS-10486DB-106552CS-0118592EN300-54223F311252F2163-0144

データベース識別子

CAS: 98995-06-3
PubChem CID: 10943480
DTXSID: DTXSID40449237
EC Number: 885-874-9

物性

構造計算による物性

XLogP: 1.7
極性表面積: 46.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 196

物理化学的性質

融点: 167 · 167-169 °C
沸点: 396.9 · 396.9±32.0 °C(Predicted)
比重(密度): 1.249 · 1.249±0.06 g/cm3(Predicted)
酸解離定数(Pka): 1.6 · 1.60±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): 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, P305+P354+P338, P317, 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 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.