4-Amino-2-chloro-6-methyl-5-nitropyrimidine

HCID 227459CAS 5453-06-5

基本情報

標準SMILES: Cc1nc(Cl)nc(N)c1[N+](=O)[O-]
InChIKey: ZBYYVBFAHVINCE-UHFFFAOYSA-N
分子式: C5H5ClN4O2
平均分子量: 188.57 g/mol
単同位体質量: 188.0101031

名称と識別子

優先名称: 4-Amino-2-chloro-6-methyl-5-nitropyrimidine
IUPAC: 2-chloro-6-methyl-5-nitropyrimidin-4-amine
英語名: 4-AMINO-2-CHLORO-6-METHYL-5-NITROPYRIMIDINE
分子式: C5H5ClN4O2
分子量: 188.57

名称と別名

4-Amino-2-chloro-6-methyl-5-nitropyrimidineDTXSID50280911RefChem:517614DTXCID40232065668-874-15453-06-52-chloro-6-methyl-5-nitropyrimidin-4-amineMFCD000231984-Pyrimidinamine, 2-chloro-6-methyl-5-nitro-NSC190542-chloro-6-methyl-5-nitro-pyrimidin-4-ylamineSCHEMBL166184

名称をさらに表示

NSC 19054IFLAB-BB F2124-01794-Amino-5-nitro-6-methyl-2-chloropyrimidine2-chloro-6-methyl-5-nitro-pyrimidin-4-amine(2-chloro-6-methyl-5-nitro-pyrimidin-4-yl)amine

ZBYYVBFAHVINCE-UHFFFAOYSA-NNSC-19054AKOS000320476SB55611AS-66471DB-0525992-Chloro-6-methyl-5-nitro-4-pyrimidinamineCS-0107358

データベース識別子

CAS: 5453-06-5
PubChem CID: 227459
DTXSID: DTXSID50280911
EC Number: 668-874-1

物性

構造計算による物性

XLogP: 1.6
極性表面積: 97.6 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 185

物理化学的性質

融点: 166 · 166-170°C
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解性: ジクロロメタン（微量）、酢酸エチル（微量）、メタノール（微量）
外見: 個体
色: 淡い黄色からオレンジ色
安定性: 毒
CAS データベース: 5453 · 5453-06-5

化学的性質

化学的特性Orange Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.