4-(トリフルオロメチル)フェニルヒドラジン

4-(Trifluoromethyl)phenylhydrazine

HCID 136200CAS 368-90-1

部分構造検索類似構造を探す

基本情報

標準SMILES: NNc1ccc(C(F)(F)F)cc1
InChIKey: DBNLGTYGKCMLLR-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: 4-(Trifluoromethyl)phenylhydrazine
IUPAC: [4-(trifluoromethyl)phenyl]hydrazine
現地名: 4-(トリフルオロメチル)フェニルヒドラジン
英語名: 4-(Trifluoromethyl)phenylhydrazine
分子式: C7H7F3N2
分子量: 176.14

名称と別名

4-(Trifluoromethyl)phenylhydrazine368-90-14-trifluoromethylphenylhydrazineDTXSID40190277RefChem:517171DTXCID50112768609-305-9(4-(Trifluoromethyl)phenyl)hydrazine[4-(trifluoromethyl)phenyl]hydrazine4-(trifluoromethyl)phenyl hydrazineMFCD00042508p-Trifluoromethylphenylhydrazine

名称をさらに表示

[4-(トリフルオロメチル)フェニル]ヒドラジン[p-(トリフルオロメチル)フェニル]ヒドラジン4-(トリフルオロメチル)フェニルヒドラジン1-[4-(トリフルオロメチル)フェニル]ヒドラジンBUTTPARK 44\57-164-(Trifluromethyl)phenylhydrà,à,à-trifluoro-p-tolylhydrazineP-(TRIFLUOROMETHYL)PHENYLHYDRAZINE4-(Trifluoromethyl)phenylhydrazine97%4-(Trifluoromethyl)phenylhydrazine,96%1-[4-(trifluoromethyl)phenyl]hydrazine4-(Trifluoromethyl)phenylhydrazine,95%4-(Trifluoromethyl)phenylhydrazine 97%

Hydrazine, [4-(trifluoromethyl)phenyl]-4-trifluoromethyl-phenylhydrazine(4-trifluoromethyl-phenyl)-hydrazineSTK500360GS-3179AC-149144-Hydrazinobenzotrifluoride4-(Trifluoromethyl)-phenylhydrazine

データベース識別子

CAS: 368-90-1
PubChem CID: 136200
DTXSID: DTXSID40190277
EC Number: 609-305-9
Nikkaji: J308.981I

物性

構造計算による物性

XLogP: 2.4
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: 138

物理化学的性質

融点: 63 · 63-65 °C (lit.)
沸点: 118 · 118-122 °C/17 mmHg (lit.)
比重(密度): 1.2773 · 1.2773 (estimate)
闪点: 119 · 119-121°C/17mm
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 4.49 · 4.49±0.20(Predicted)
外見: 粉
色: 黄色から茶色
水溶解度: 水に不溶。
BRN: 743759 · 743759
InChI: 1S/C7H7F3N2/c8-7(9,10)5-1-3-6(12-11)4-2-5/h1-4,12H,11H2
InChIKey: DBNLGTYGKCMLLR-UHFFFAOYSA-N
SMILES: NNc1ccc(cc1)C(F)(F)F
CAS データベース: 368 · 368-90-1(CAS DataBase Reference)

化学的性質

化学的特性Yellow to brownish powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (14.9%): 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 47 reports by companies from 7 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 (14.9%)

安全データ

wgk: 3
ridadr: 2811
hs_code: 29280000
risk_code: 36/37/38-20/21/22
hazard_code: Xi,T,Xn
hazard_note: Irritant
safety_code: 26-36-24/25
hazard_class: IRRITANT, TOXIC
packing_group: III
Hazard Classifications: Eye 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4-(Trifluoromethyl)phenylhydrazine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

一般的な説明4-(Trifluoromethyl)phenylhydrazine participates as phenylhydrazine-based reductant containing fluorine atoms in the one-step reduction and functionalization of graphene oxide.