2-メチル-5-(トリフルオロメチル)アニリン

2-Methyl-5-(trifluoromethyl)aniline

HCID 2735933

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基本情報

CAS: 25449-96-1
標準SMILES: Cc1ccc(C(F)(F)F)cc1N
InChIKey: BCLCKENDTZITFB-UHFFFAOYSA-N
分子式: C8H8F3N
平均分子量: 175.15 g/mol
単同位体質量: 175.06088392

名称と識別子

優先名称: 2-Methyl-5-(trifluoromethyl)aniline
IUPAC: 2-methyl-5-(trifluoromethyl)aniline
現地名: 2-メチル-5-(トリフルオロメチル)アニリン
英語名: 3-AMINO-4-METHYLBENZOTRIFLUORIDE
分子式: C8H8F3N
分子量: 175.15

名称と別名

2-Methyl-5-(trifluoromethyl)aniline25449-96-1DTXSID50371030RefChem:263518DTXCID70322064671-637-53-Amino-4-methylbenzotrifluoride2-methyl-5-trifluoromethylanilineMFCD001345805-Trifluoromethyl-o-toluidineSCHEMBL3304423-amino-4-methyl-benzotrifluoride

名称をさらに表示

2-メチル-5-(トリフルオロメチル)アニリン3-アミノ-4-メチルベンゾトリフルオリド5-トリフルオロメチル-o-トルイジン2-メチル-5-トリフルオロメチルアニリン2-メチル-5-(トリフルオロメチル)アニリン, 98%-5-(trifL2-Methyl-5-Trifluoromethylanil2-methyl-5-thifluoromethylaniline2-Methy-5-(trifluoroMethyl)aniline5-(Trifluoromethyl)-2-methylaniline3-Amino-4-methylbenzotrifluoride98%3-Amino-4-methylbenzotrifluoride 98%3-AMINO-4-METHYLBENZOTRIFLUORIDE(MTA)

CL8403CS-W017460PS-8606SY032231EN300-966882-methyl-5-(trifluoromethyl)phenylamineBenzenamine, 2-methyl-5-(trifluoromethyl)-Benzenamine, 2-methyl-5-

データベース識別子

CAS: 25449-96-1
PubChem CID: 2735933
DTXSID: DTXSID50371030
EC Number: 671-637-5
Nikkaji: J1.868.766F

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: 0
重原子数: 12
形式電荷: 0
複雑度: 155

物理化学的性質

融点: 34 · 34-38°C
沸点: 74 °C/8mmHg · 74°C/8mmHg(lit.)
比重(密度): 1.237 · 1.237±0.06 g/cm3(Predicted)
闪点: 96 °C · 96°C
貯蔵温度: 2 · 2-8°C, protect from light
溶解性: soluble in Methanol
外見: powder to lump
酸解離定数(Pka): 3.23 · 3.23±0.10(Predicted)
色: Light yellow to Brown
CAS データベース: 25449 · 25449-96-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (22.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.