CAS 1083197-78-7 4-(Trifluoromethyl)pyridine-3-carbaldehyde (HCID 21354724)

基本情報

CAS: 1083197-78-7
標準SMILES: O=Cc1cnccc1C(F)(F)F
InChIKey: LNHXJOJOYYLHIW-UHFFFAOYSA-N
分子式: C7H4F3NO
平均分子量: 175.11 g/mol

名称と識別子

優先名称: 4-(Trifluoromethyl)pyridine-3-carbaldehyde
IUPAC: 4-(trifluoromethyl)pyridine-3-carbaldehyde
英語名: 4-TrifluoroMethyl-pyridine-3-carbaldehyde
分子式: C7H4F3NO
分子量: 175.1079696

名称と別名

1083197-78-74-(trifluoromethyl)pyridine-3-carbaldehydeRefChem:517183970-122-54-(Trifluoromethyl)nicotinaldehyde4-TRIFLUOROMETHYL-3-FORMYLPYRIDINE872626-76-14-(Trifluoromethyl)-3-formylpyridine4-Trifluoromethyl-pyridine-3-carbaldehydeMFCD077812513-Pyridinecarboxaldehyde, 4-(trifluoromethyl)-SB21502

名称をさらに表示

AS-41811SCHEMBL844273SCHEMBL1040750SCHEMBL30149259ITB19778SBB052225AKOS008901114SY002814

データベース識別子

CAS: 1083197-78-7
PubChem CID: 21354724
EC Number: 970-122-5

物性

構造計算による物性

XLogP: 1.2
極性表面積: 30 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: 1
重原子数: 12
形式電荷: 0
複雑度: 169

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, 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.