CAS 20090-58-8 4-Chloro-5-methylpyrimidin-2-amine (HCID 588628)

基本情報

CAS: 20090-58-8
標準SMILES: Cc1cnc(N)nc1Cl
InChIKey: UDBZUFZWXJJBAL-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: 4-Chloro-5-methylpyrimidin-2-amine
IUPAC: 4-chloro-5-methylpyrimidin-2-amine
現地名: 2-アミノ-4-クロロ-5-メチルピリミジン
英語名: 2-Pyrimidinamine, 4-chloro-5-methyl- (9CI)
分子式: C5H6ClN3
分子量: 143.57

名称と別名

4-chloro-5-methylpyrimidin-2-amine20090-58-8DTXSID90343271RefChem:521491DTXCID50294351858-761-72-Amino-4-chloro-5-methylpyrimidineMFCD007258984-Chloro-5-methyl-pyrimidin-2-ylamine2-PYRIMIDINAMINE, 4-CHLORO-5-METHYL-4-chloro-5-methyl-pyrimidin-2-amineSCHEMBL311281

名称をさらに表示

2-アミノ-4-クロロ-5-メチルピリミジン4-クロロ-5-メチルピリミジン-2-アミン4-Chloro-5-methyl-2-pyrimidinamine2-Pyrimidinamine, 4-chloro-5-methyl- (9CI)4-Chloro-5-methylpyrimidin-2-amine, 2-Amino-4-chloro-5-methyl-1,3-diazine

4-chloro-2-amino-5-methylpyrimidineAKOS0036178054-Chloro-5-methyl-2-pyrimidinamine #CS-W006105PB24678AS-30800DA-17470SY033889

データベース識別子

CAS: 20090-58-8
PubChem CID: 588628
DTXSID: DTXSID90343271
EC Number: 858-761-7

物性

構造計算による物性

XLogP: 1.2
極性表面積: 51.8 Å²
水素結合供与体数: 1
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: 184 · 184-185℃
沸点: 320.8 · 320.8±34.0 °C(Predicted)
比重(密度): 1.349 · 1.349±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: solid
酸解離定数(Pka): 3.99 · 3.99±0.10(Predicted)
色: Light yellow to yellow

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.