2-クロロ-5-(トリフルオロメチル)ベンジルアミン

2-Chloro-5-(trifluoromethyl)benzylamine

HCID 2736682CAS 15996-78-8

部分構造検索類似構造を探す

基本情報

標準SMILES: NCc1cc(C(F)(F)F)ccc1Cl
InChIKey: XOCMZYUQWVACMA-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-5-(trifluoromethyl)benzylamine
IUPAC: [2-chloro-5-(trifluoromethyl)phenyl]methanamine
現地名: 2-クロロ-5-(トリフルオロメチル)ベンジルアミン
英語名: 2-Chloro-5-trifluoromethylbenzyl chloride
分子式: C8H7ClF3N
分子量: 209.6

名称と別名

2-Chloro-5-(trifluoromethyl)benzylamine15996-78-8DTXSID00371525RefChem:258901DTXCID20322559624-271-5[2-chloro-5-(trifluoromethyl)phenyl]methanamine2-chloro-5-(trifluoromethyl)benzyl amineMFCD00190123(2-chloro-5-(trifluoromethyl)phenyl)methanamineBenzenemethanamine, 2-chloro-5-(trifluoromethyl)-[2-chloro-5-(trifluoromethyl)phenyl]methylamine

名称をさらに表示

2-クロロ-5-(トリフルオロメチル)ベンジルアミンRARECHEM AL BW 0385Chlorotrifluoromethylbenzylamine 25()---2-Chloro-5-trifluoromethylbenzyl chloride2-Chloro-5-(trifluoromethyl)benzylamine98%2-Chloro-5-(trifluoromethyl)benzylamine 98%2-Chloro-5-(trifluoromethyl)benzylamine, 97+%(2-Chloro-5-(trifluoroMethyl) phenyl) MethanaMine

2-chloro-5-trifluoromethyl-benzylamine1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]METHANAMINESCHEMBL856434SCHEMBL6152782SBB028422AKOS015850171PS-8024SB78647

データベース識別子

CAS: 15996-78-8
PubChem CID: 2736682
DTXSID: DTXSID00371525
EC Number: 624-271-5

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

沸点: 90 · 90-94°C 13mm
比重(密度): 1.338 g/mL · 1.338 g/mL at 25 °C
屈折率: 20 · n 20/D 1.489
闪点: 218 °F · 218 °F
酸解離定数(Pka): 8.15 · 8.15±0.10(Predicted)
外見: liquid
色: Clear, almost colourless
BRN: 2835666 · 2835666
InChI: 1S/C8H7ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H,4,13H2
InChIKey: XOCMZYUQWVACMA-UHFFFAOYSA-N
SMILES: NCc1cc(ccc1Cl)C(F)(F)F
CAS データベース: 15996 · 15996-78-8(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)

安全データ

wgk: 3
ridadr: UN 2810 6.1/PG 3
hs_code: 2921490090
risk_code: 25-36/38-43-36
hazard_code: T,C,Xi
hazard_note: Corrosive
safety_code: 26-36/37-45
hazard_class: 8
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects