4-クロロ-2-ピリジンアミン

2-Amino-4-chloropyridine

HCID 581866

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 19798-80-2
標準SMILES: Nc1cc(Cl)ccn1
InChIKey: RQMWVVBHJMUJNZ-UHFFFAOYSA-N
分子式: C5H5ClN2
平均分子量: 128.56 g/mol
単同位体質量: 128.0141259

名称と識別子

優先名称: 2-Amino-4-chloropyridine
IUPAC: 4-chloropyridin-2-amine
現地名: 4-クロロ-2-ピリジンアミン
英語名: 2-Amino-4-chloropyridine
分子式: C5H5ClN2
分子量: 128.56

名称と別名

2-Amino-4-chloropyridine19798-80-24-Chloro-2-pyridinamineDTXSID70342444RefChem:464274DTXCID30293524629-610-04-chloropyridin-2-amine4-Chloro-pyridin-2-ylamine2-Pyridinamine, 4-chloro-MFCD041138204-chloro-2-pyridylamine

名称をさらに表示

4-クロロ-2-ピリジンアミン2-アミノ-4-クロロピリジン4-クロロピリジン-2-アミン2-アミノ-4-クロロピリジン, 97%4-CHLORO-PYRIDINE-2-YLAMINEDK765cas:19798-80-2IFLAB-BB F1926-00044-Chloropyrid-2-ylaMine4-Chloro-2-amine-pyridin

2-Amino4-chloropyridine2-amino-4-chloropyridin2-amino-4-chloro-pyridineCHEMBL2937284-CHLORO-2-AMINOPYRIDINE2-Amino-4-chloropyridine, 97%BBL011142PB32361

データベース識別子

CAS: 19798-80-2
PubChem CID: 581866
DTXSID: DTXSID70342444
ChEMBL: CHEMBL293728
UNII: 7P9WD6H6GN
EC Number: 629-610-0
Nikkaji: J82.896C

物性

構造計算による物性

XLogP: 1.1
極性表面積: 38.9 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: 0
重原子数: 8
形式電荷: 0
複雑度: 76

物理化学的性質

融点: 126 · 126-127°C
沸点: 240.8 · 240.8±20.0 °C(Predicted)
比重(密度): 1.326 · 1.326±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: DMSO、メタノール
酸解離定数(Pka): 5.72 · 5.72±0.11(Predicted)
外見: 液体
色: 無色～黄色～褐色
InChI: InChI=1S/C5H5ClN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
InChIKey: RQMWVVBHJMUJNZ-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC(Cl)=C1
CAS データベース: 19798 · 19798-80-2(CAS DataBase Reference)

化学的性質

化学的特性Light yellow Cryst

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): 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 47 reports by companies from 9 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (93.6%)；Skin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.7%)

安全データ

wgk: 3
hs_code: 29333990
risk_code: 22-36/37/38
hazard_code: Xi,Xn
safety_code: 26
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用2-Amino-4-chloropyridine is a useful precursor that could be used to synthesize 2-amino-4,5-dichloropyridine, 2-amino-3,4-dichloropyridine, and 2-amino-3,4,5-trichloropyridine[1].

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化合物ノート

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