CAS 98187-18-9 4-Methoxy-3-(trifluoromethyl)benzoyl chloride (HCID 2775298)

基本情報

CAS: 98187-18-9
標準SMILES: COc1ccc(C(=O)Cl)cc1C(F)(F)F
InChIKey: PBKYPTQBAQQVPT-UHFFFAOYSA-N
分子式: C9H6ClF3O2
平均分子量: 238.59 g/mol
単同位体質量: 238.00084177

名称と識別子

優先名称: 4-Methoxy-3-(trifluoromethyl)benzoyl chloride
IUPAC: 4-methoxy-3-(trifluoromethyl)benzoyl chloride
現地名: 4-メトキシ-3-(トリフルオロメチル)ベンゾイルクロリド
英語名: 4-METHOXY-3-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
分子式: C9H6ClF3O2
分子量: 238.59

名称と別名

4-Methoxy-3-(trifluoromethyl)benzoyl chloride98187-18-9DTXSID60379507RefChem:293851DTXCID20330533638-965-0MFCD016315764-Methoxy-3-(trifluoromethyl)benzoylchlorideSCHEMBL1190600SBB098981AKOS0052575834Methoxy-3-trifluoromethylbenzoyl chloride

名称をさらに表示

4-メトキシ-3-(トリフルオロメチル)ベンゾイルクロリド3-TRIFLUOROMETHYL-P-ANISOYL CHLORIDE5-(Chlorocarbonyl)-2-methoxybenzotrifluorideBenzoyl chloride, 4-methoxy-3-(trifluoromethyl)-5-(Chlorocarbonyl)-2-methoxybenzotrifluoride, 4-(Chlorocarbonyl)-2-(trifluoromethyl)anisole

AC-26057PS-107244-Methoxy-3-trifluoromethylbenzoyl chloride4-methoxy-5-trifluoromethylbenzoyl chloride3-trifluoromethyl-4-methoxy-benzoyl chloride4-methoxy-3-(trifluromethyl)benzoyl chloride4-methoxy-3-trifluoromethyl benzoyl chloride4-methoxy-3-trifluoromethyl-benzoyl chloride

データベース識別子

CAS: 98187-18-9
PubChem CID: 2775298
DTXSID: DTXSID60379507
EC Number: 638-965-0

物性

構造計算による物性

XLogP: 3.3
極性表面積: 26.3 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: 2
重原子数: 15
形式電荷: 0
複雑度: 242

物理化学的性質

沸点: 283.6 · 283.6±40.0 °C(Predicted)
比重(密度): 1.376 · 1.376±0.06 g/cm3(Predicted)
屈折率: 1.515 · 1.515
外見: liquid
色: Clear, almost colourless
CAS データベース: 98187 · 98187-18-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.