2-クロロ-3-(トリフルオロメチル)ベンジルアミン

2-Chloro-3-(trifluoromethyl)benzylamine

HCID 5224207

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 39226-96-5
標準SMILES: NCc1cccc(C(F)(F)F)c1Cl
InChIKey: GRFVQNWTQVWNBY-UHFFFAOYSA-N
分子式: C8H7ClF3N
平均分子量: 209.59 g/mol
単同位体質量: 209.02191156

名称と識別子

優先名称: 2-Chloro-3-(trifluoromethyl)benzylamine
IUPAC: [2-chloro-3-(trifluoromethyl)phenyl]methanamine
現地名: 2-クロロ-3-(トリフルオロメチル)ベンジルアミン
英語名: 2-Chloro-3-(trifluoromethyl)benzylamine
分子式: C8H7ClF3N
分子量: 209.6

名称と別名

2-CHLORO-3-(TRIFLUOROMETHYL)BENZYLAMINERefChem:468652679-303-039226-96-5(2-chloro-3-(trifluoromethyl)phenyl)methanamine[2-chloro-3-(trifluoromethyl)phenyl]methanamineMFCD041159901-[2-Chloro-3-(trifluoromethyl)phenyl]methanamine2-Chloro-3-(trifluoromethyl)benzyl amine{[2-chloro-3-(trifluoromethyl)phenyl]methyl}amineDS-13722SY053117

名称をさらに表示

2-クロロ-3-(トリフルオロメチル)ベンジルアミンP2X7 receptor antagonist-72-Chloro-3-(trifluoromethyl)benzylamine >Benzenemethanamine, 2-chloro-3-(trifluoromethyl)-

[(2-chloro-3-trifluoromethylphenyl)methyl]amine[2-chloro-3-(trifluoromethyl)phenyl]methylamineBenzenemethanamine, 2-chloro-3-(trifluoromethyl)-2-Chloro-3-trifluoromethyl-benzylamineAM83239FT-0724209CHEMBL274156SCHEMBL1635491

データベース識別子

CAS: 39226-96-5
PubChem CID: 5224207
DTXSID: DTXSID70411306
ChEMBL: CHEMBL274156
EC Number: 679-303-0
Nikkaji: J565.900K

物性

構造計算による物性

XLogP: 2.3
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 171

物理化学的性質

融点: 35 · 35-38℃
沸点: 223 ℃ · 223℃
比重(密度): 1.353 · 1.353
闪点: 87 ℃ · 87℃
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性: soluble in Methanol
外見: powder to lump
色: White to Yellow to Orange

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.