3,4-ジアミノ-2-クロロピリジン

2-Chloropyridine-3,4-diamine

HCID 285736CAS 39217-08-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1ccnc(Cl)c1N
InChIKey: PWOIYBVEDIFBEO-UHFFFAOYSA-N
分子式: C5H6ClN3
平均分子量: 143.57 g/mol
単同位体質量: 143.0250249

名称と識別子

優先名称: 2-Chloropyridine-3,4-diamine
IUPAC: 2-chloropyridine-3,4-diamine
現地名: 3,4-ジアミノ-2-クロロピリジン
英語名: 2-Chloro-3,4-diaminopyridine
分子式: C5H6ClN3
分子量: 143.57

名称と別名

2-chloropyridine-3,4-diamineDTXSID90301412RefChem:470508DTXCID40252546686-011-739217-08-82-CHLORO-3,4-DIAMINOPYRIDINE3,4-Diamino-2-chloropyridine2-Chloro-3,4-pyridinediamineMFCD07363739NSC143160SCHEMBL337291

名称をさらに表示

3,4-ジアミノ-2-クロロピリジン2-クロロピリジン-3,4-ジアミンNSC 143160oropyridine-3,4-diamine2-Chloro-3,4-pyridinediam...3,4-Pyridinediamine, 2-chloro-(4-amino-2-chloro-3-pyridyl)amine2-chloropyridine-3,4-diaMinehydrochloride

SCHEMBL29738526CS-D07762-CHLOROPYRIDIN-3,4-DIAMINESBB079600SC32213,4-Diamino-2-chloropyridine, 97%AKOS005257926GS-5810

データベース識別子

CAS: 39217-08-8
PubChem CID: 285736
DTXSID: DTXSID90301412
EC Number: 686-011-7
Nikkaji: J1.876.825I

物性

構造計算による物性

XLogP: 0.5
極性表面積: 64.9 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 98

物理化学的性質

融点: 158 · 158-163℃
沸点: 381.3 · 381.3±37.0 °C(Predicted)
比重(密度): 1.447 · 1.447±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): 4.79 · 4.79±0.42(Predicted)
色: Light yellow to Brown to Dark green
InChI: 1S/C5H6ClN3/c6-5-4(8)3(7)1-2-9-5/h1-2H,8H2,(H2,7,9)
InChIKey: PWOIYBVEDIFBEO-UHFFFAOYSA-N
SMILES: Nc1ccnc(Cl)c1N

化学的性質

化学的特性Light red solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (97.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H317 (97.7%): 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+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 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. 3 (97.7%)；Skin Sens. 1 (97.7%)；Eye Irrit. 2A (100%)

安全データ

wgk: 3
ridadr: 2811
hs_code: 29333990
risk_code: 36/37/38-43-36-22
hazard_code: Xi,Xn
safety_code: 26-37-36/37-24/25-36/37/39
hazard_class: 6.1
packing_group: Ⅲ
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