2-クロロ-4-(トリフルオロメチル)ピリミジン-5-カルボニルクロリド

2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride

HCID 2736708CAS 154934-99-3

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(Cl)c1cnc(Cl)nc1C(F)(F)F
InChIKey: BTRSILVUNQWNDR-UHFFFAOYSA-N
分子式: C6HCl2F3N2O
平均分子量: 244.98 g/mol
単同位体質量: 243.94180267

名称と識別子

優先名称: 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
IUPAC: 2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
現地名: 2-クロロ-4-(トリフルオロメチル)ピリミジン-5-カルボニルクロリド
英語名: 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
分子式: C6HCl2F3N2O
分子量: 244.99

名称と別名

2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride154934-99-32-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonylchlorideMFCD00173789C6HCl2F3N2OSCHEMBL79014DTXSID80371543SBB067930AKOS015853170PS-10730DB-008807F008268

名称をさらに表示

2-クロロ-4-(トリフルオロメチル)ピリミジン-5-カルボニルクロリドBUTTPARK 37\18-312-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl5-Pyrimidinecarbonyl chloride, 2-chloro-4-(trifluoromethyl)-2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonylchloride97%2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride 97%

2-chloro-4-trifluoromethyl-pyrimidin-5-carbonyl chloride2-chloro-4-trifluoromethylpyrimidine-5-carbonyl chloride2-chloro-4-(trifluoromethyl)-5-pyrimidinecarbonyl chloride2-chloro-4-trifluoromethyl-pyrimidine-5-carbonyl chloride2-CHLORO-4-TRIFLUOROMETHYL-5-PYRIMIDINE CARBONYL CHLORIDE

データベース識別子

CAS: 154934-99-3
PubChem CID: 2736708
DTXSID: DTXSID80371543
EC Number: 672-004-6

物性

構造計算による物性

XLogP: 2.6
極性表面積: 42.9 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 236

物理化学的性質

融点: 158 °C · 158 °C
沸点: 54 °C · 54°C 0,15mm
比重(密度): 1.658 · 1.658±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: liquid
酸解離定数(Pka): -6.23 · -6.23±0.29(Predicted)
色: Clear, dark yellow
CAS データベース: 154934 · 154934-99-3(CAS DataBase Reference)

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)

安全データ

ridadr: 3265
hs_code: 29335990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39
hazard_class: CORROSIVE

化学と産業

応用分野

使用2-Chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl Chloride can be used to treat Rett Syndrome, acute coronary syndrome and related conditions. It can also be utilized in agrochemical anti-microbial agents.