4,6-Dichloro-n-methylpyrimidin-2-amine

HCID 259880CAS 10397-15-6

基本情報

標準SMILES: CNc1nc(Cl)cc(Cl)n1
InChIKey: UBGCYDBGKBKRCT-UHFFFAOYSA-N
分子式: C5H5Cl2N3
平均分子量: 178.02 g/mol
単同位体質量: 176.98605252

名称と識別子

優先名称: 4,6-Dichloro-n-methylpyrimidin-2-amine
IUPAC: 4,6-dichloro-N-methylpyrimidin-2-amine
英語名: 2,6-dichloro-N-Methyl pyriMidin-4-aMine
分子式: C5H5Cl2N3
分子量: 178.02

名称と別名

4,6-dichloro-n-methylpyrimidin-2-amine10397-15-6MFCD020911094,6-dichloro-N-methyl-2-pyrimidinamine2,6-dichloro-N-Methyl pyriMidin-4-aMine2-PYRIMIDINAMINE, 4,6-DICHLORO-N-METHYL-NSC906044,6-dichloro-N-methyl-pyrimidin-2-amine2-Pyrimidinamine,4,6-dichloro-N-methyl-NCIOpen2_0014464,6-DICHLORO-N-METHYL-PYRIMIDINE-2-AMINESCHEMBL1318655

名称をさらに表示

100066

DTXSID10293547UBGCYDBGKBKRCT-UHFFFAOYSA-NCS-M1588KAA39715NSC 90604NSC-906042-methylamino-4,6-dichloro-pyrimidineAKOS016008726

データベース識別子

CAS: 10397-15-6
PubChem CID: 259880
DTXSID: DTXSID10293547
EC Number: 138-948-3

物性

構造計算による物性

XLogP: 2.4
極性表面積: 37.8 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: 1
重原子数: 10
形式電荷: 0
複雑度: 101

物理化学的性質

融点: 164 °C · 164 °C
沸点: 295.7 · 295.7±43.0 °C(Predicted)
比重(密度): 1.492 · 1.492
屈折率: 1.619 · 1.619
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 0.45 · 0.45±0.25(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.