2,4,6-トリフルオロピリミジン

2,4,6-Trifluoropyrimidine

HCID 69677CAS 696-82-2

部分構造検索類似構造を探す

基本情報

標準SMILES: Fc1cc(F)nc(F)n1
InChIKey: NTSYSQNAPGMSIH-UHFFFAOYSA-N
分子式: C4HF3N2
平均分子量: 134.06 g/mol
単同位体質量: 134.00918253

名称と識別子

優先名称: 2,4,6-Trifluoropyrimidine
IUPAC: 2,4,6-trifluoropyrimidine
現地名: 2,4,6-トリフルオロピリミジン
英語名: 2,4,6-TRIFLUOROPYRIMIDINE
分子式: C4HF3N2
分子量: 134.06

名称と別名

2,4,6-Trifluoropyrimidine696-82-2Pyrimidine, 2,4,6-trifluoro-EINECS 211-801-1DTXSID40219876RefChem:82123DTXCID90142367211-801-1NTSYSQNAPGMSIH-UHFFFAOYSA-NMFCD000397052,4, 6-trifluoropyrimidineSCHEMBL113096

名称をさらに表示

2,4,6-トリフルオロピリミジン2,4,6-トリフルオロピリミジン, 98%2,4,6-TRIFLUOROPYRIMIDEPyriMidine,2,4,6-trifluoro-2,4,6-Trifluoropyrimidine,98%2,4,6-Trifluoropyrimidine 98%2-(2-chloroethyl)benzo[f]isoindole-1,3-dione2,4,6-TRIFLUOROPYRIMIDINE ISO 9001：2015 REACHPyrimidine, 2,4,6-trifluoro- (6CI,7CI,8CI,9CI)

AKOS005259689CS-W011072SB57442AC-26652DS-10783AMY128A9216SCHEMBL5143890

データベース識別子

CAS: 696-82-2
PubChem CID: 69677
DTXSID: DTXSID40219876
EC Number: 211-801-1
Nikkaji: J206.017E

物性

構造計算による物性

XLogP: 1.5
極性表面積: 25.8 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 89

物理化学的性質

沸点: 83 °C · 83 °C
比重(密度): 1.514 · 1.514±0.06 g/cm3(Predicted)
屈折率: 1.405 · 1.405
闪点: 100 °C · >100°C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -7.88 · -7.88±0.30(Predicted)
BRN: 607190 · 607190
CAS データベース: 696 · 696-82-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 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.