2-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine

HCID 53471483CAS 741737-16-6

基本情報

標準SMILES: FC(F)(F)c1ncc2c(n1)CCNC2
InChIKey: CKMCVIMYBWEVKX-UHFFFAOYSA-N
分子式: C8H8F3N3
平均分子量: 203.16 g/mol
単同位体質量: 203.06703175

名称と識別子

優先名称: 2-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
IUPAC: 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
英語名: 2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINE
分子式: C8H8F3N3
分子量: 203.16

名称と別名

2-(TRIFLUOROMETHYL)-5H,6H,7H,8H-PYRIDO[4,3-D]PYRIMIDINE2-(trifluoromethyl)-5H,6H,7H,8H-pyrido(4,3-d)pyrimidineRefChem:462527878-078-8741737-16-62-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINEPyrido[4,3-d]pyrimidine,5,6,7,8-tetrahydro-2-(trifluoromethyl)-SCHEMBL3639116DTXSID407036642-trifluoromethyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidineAKOS023401765AB59012

名称をさらに表示

2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDROPYRIDO[4,3-D]PYRIMIDINEPyrido[4,3-d]pyrimidine, 5,6,7,8-tetrahydro-2-(trifluoromethyl)-

CS-0083445EN300-1718697Z1269244568

データベース識別子

CAS: 741737-16-6
PubChem CID: 53471483
DTXSID: DTXSID40703664
EC Number: 878-078-8

物性

構造計算による物性

XLogP: 0.6
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: 6
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 206

物理化学的性質

沸点: 214.7 · 214.7±40.0 °C(Predicted)
比重(密度): 1.334 · 1.334±0.06 g/cm3(Predicted)
酸解離定数(Pka): 6.56 · 6.56±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；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+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.