4-クロロベンズアミジン塩酸塩

4-Chlorobenzene-1-carboximidamide hydrochloride

HCID 203436CAS 14401-51-5

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.N=C(N)c1ccc(Cl)cc1
InChIKey: RXAOGVQDNBYURA-UHFFFAOYSA-N
分子式: C7H8Cl2N2
平均分子量: 191.05 g/mol
単同位体質量: 190.00645362

名称と識別子

優先名称: 4-Chlorobenzene-1-carboximidamide hydrochloride
IUPAC: 4-chlorobenzenecarboximidamide;hydrochloride
現地名: 4-クロロベンズアミジン塩酸塩
英語名: 4-Chlorobenzene-1-carboximidamide hydrochloride
分子式: C7H8Cl2N2
分子量: 191.06

名称と別名

4-Chlorobenzene-1-carboximidamide hydrochlorideBenzenecarboximidamide, 4-chloro-, hydrochloride (1:1)RefChem:521935604-389-314401-51-54-Chlorobenzamidine hydrochloride4-chloro-benzamidine hydrochlorideMFCD00126401p-Chlorobenzamidine hydrochlorideBenzenecarboximidamide, 4-chloro-, monohydrochloride4-Chlorobenzenecarboximidamide monohydrochloride4-CHLOROBENZIMIDAMIDE HYDROCHLORIDE

名称をさらに表示

4-クロロベンズアミジン塩酸塩4‐クロロベンゼン‐1‐カルボキシイミドアミド塩酸塩4-クロロベンゼン-1-カルボキシイミドアミド塩酸塩4-クロロベンズアミジン・塩酸塩4-CHLOROBENZAMIDINE HCL4-Chlorobenzimidamide HClp-chloro-benzamidhydrochloride4-chlorbenamidine hydrochloride4-ChlorobenzamidineHydrochloride>p-chloro-benzamidinmonohydrochloride4-Chlorobenzene-1-carboximidamideHCl4-Chlorobenzamidine hydrochloride ,95%

4-chlorobenzenecarboximidamide;hydrochloride4-chlorobenzamidine;hydrochloride4-Chlorobenzamidine Monohydrochloride4-chlorobenzenecarboxamidine, chlorideSMR000354347EN300-107516AI3-23662Benzamide, p-chloro-, hydrochloride

データベース識別子

CAS: 14401-51-5
PubChem CID: 203436
DTXSID: DTXSID80162599
ChEMBL: CHEMBL1406830
EC Number: 604-389-3

物性

構造計算による物性

極性表面積: 49.9 Å²
水素結合供与体数: 3
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 128

物理化学的性質

融点: 244 °C · 244 °C
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder to crystal
色: White to Almost white
InChI: 1S/C7H7ClN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKey: RXAOGVQDNBYURA-UHFFFAOYSA-N
SMILES: Cl.NC(=N)c1ccc(Cl)cc1
CAS データベース: 14401 · 14401-51-5(CAS DataBase Reference)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (20%)

安全データ

wgk: WGK 3
rtecs: CV6136200
毒性: mouse,LD50,intravenous,90mg/kg (90mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 16, 1945.
hs_code: 29252900
risk_code: 36/37/38-43-36-25
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 26-36-37/39-45-36/37
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Sens. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects