[o-(トリフルオロメチル)フェニル]ヒドラジン

2-(Trifluoromethyl)phenylhydrazine

HCID 520800CAS 365-34-4

部分構造検索類似構造を探す

基本情報

標準SMILES: NNc1ccccc1C(F)(F)F
InChIKey: JSWQDLBFVSTSIW-UHFFFAOYSA-N
分子式: C7H7F3N2
平均分子量: 176.14 g/mol
単同位体質量: 176.05613288

名称と識別子

優先名称: 2-(Trifluoromethyl)phenylhydrazine
IUPAC: [2-(trifluoromethyl)phenyl]hydrazine
現地名: [o-(トリフルオロメチル)フェニル]ヒドラジン
英語名: 1-[2-(Trifluoromethyl)phenyl]hydrazine
分子式: C7H7F3N2
分子量: 176.14

名称と別名

2-(Trifluoromethyl)phenylhydrazine365-34-4[2-(trifluoromethyl)phenyl]hydrazine(2-(Trifluoromethyl)phenyl)hydrazineDTXSID70334460RefChem:462581DTXCID80285550609-255-82-TrifluoromethylphenylhydrazineMFCD00052687m-TrifluoromethylphenylhydrazineHYDRAZINE, [2-(TRIFLUOROMETHYL)PHENYL]-, HYDROCHLORIDE

名称をさらに表示

[o-(トリフルオロメチル)フェニル]ヒドラジン1-[2-(トリフルオロメチル)フェニル]ヒドラジン2-(トリフルオロメチル)フェニルヒドラジン[2-(トリフルオロメチル)フェニル]ヒドラジンBUTTPBUTTPARK 44\57-17AKOS BBS-00006978à,à,à-trifluoro-o-tolylhydrazineα,α,α-Trifluoro-o-tolylhydrazine[o-(Trifluoromethyl)phenyl]hydrazine2-(Trifluoromethyl)phenylhydrazine98%1-phenyl-1-(trifluoromethyl)hydrazine

1-[2-(Trifluoromethyl)phenyl]hydrazineHydrazine, [2-(trifluoromethyl)phenyl]-o-trifluoromethylphenylhydrazineEnamine_002408SCHEMBL358811SCHEMBL9091929SCHEMBL9091934o-trifluoromethyl-phenylhydrazine

データベース識別子

CAS: 365-34-4
PubChem CID: 520800
DTXSID: DTXSID70334460
ChEMBL: CHEMBL1621897
EC Number: 609-255-8
Nikkaji: J308.977K

物性

構造計算による物性

XLogP: 2.6
極性表面積: 38.1 Å²
水素結合供与体数: 2
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: 146

物理化学的性質

融点: 55 · 55-58°C
沸点: 221.5 · 221.5±40.0 °C(Predicted)
比重(密度): 1.359 · 1.359±0.06 g/cm3(Predicted)
酸解離定数(Pka): 4.34 · 4.34±0.10(Predicted)
外見: crystalline solid
色: Pale brown
水溶解度: 水に不溶。
BRN: 641592 · 641592
InChI: 1S/C7H7F3N2/c8-7(9,10)5-3-1-2-4-6(5)12-11/h1-4,12H,11H2
InChIKey: JSWQDLBFVSTSIW-UHFFFAOYSA-N
SMILES: NNc1ccccc1C(F)(F)F
CAS データベース: 365 · 365-34-4(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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 46 reports by companies from 5 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. 4 (97.8%)

安全データ

wgk: 3
ridadr: UN2811
hs_code: 2928009090
risk_code: 20/21/22-36/37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-36
hazard_class: IRRITANT, IRRITANT-HARMFUL
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用2-(Trifluoromethyl)phenylhydrazine is used as an intermediate in organic syntheses. It is also ued as a fine chemical intermediate, GC derivatizing agent, coupling reagent and N- protecting agent.