2,6-ジクロロ-4-(トリフルオロメチル)フェニルヒドラジン

[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine

HCID 688223CAS 86398-94-9

部分構造検索類似構造を探す

基本情報

標準SMILES: NNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIKey: FYOWOHMZNWQLFG-UHFFFAOYSA-N
分子式: C7H5Cl2F3N2
平均分子量: 245.03 g/mol
単同位体質量: 243.97818818

名称と識別子

優先名称: [2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine
IUPAC: [2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine
現地名: 2,6-ジクロロ-4-(トリフルオロメチル)フェニルヒドラジン
英語名: 2,6-Dichloro-4-(trifluoromethyl)phenylhydrazine
分子式: C7H5Cl2F3N2
分子量: 245.03

名称と別名

86398-94-9(2,6-Dichloro-4-(trifluoromethyl)phenyl)hydrazine[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazineRefChem:394673617-847-22,6-Dichloro-4-(trifluoromethyl)phenylhydrazineMFCD000850011-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine2,6-Dichloro-4-trifluoro MethylphenylhydrozineSCHEMBL241686Hydrazine, [2,6-dichloro-4-(trifluoromethyl)phenyl]-DTXSID80350838

名称をさらに表示

2,6-ジクロロ-4-(トリフルオロメチル)フェニルヒドラジン[2,6-ジクロロ-4-(トリフルオロメチル)フェニル]ヒドラジンBUTTPARK 98\57-11TIMTEC-BB SBB0031882,6-DICHLORO-4-(TRIF3,5-Dichloro-4-Hydrazinobenzotrifluoride[2,6-dichloro-5-(trifluoromethyl)phenyl]hydrazine2,6-Dichloro-4-(trifluoromethyl)phenylhydrazine98%2,6-Dichloro-4-(trifluoromethyl)phenylhydrazine 98%

SBB003188AKOS015914076FS-4679SB77143AC-13873SY041085DB-0201592,6-dichloro4-trifluoromethylphenylhydrazine

データベース識別子

CAS: 86398-94-9
PubChem CID: 688223
DTXSID: DTXSID80350838
EC Number: 617-847-2
Nikkaji: J1.824.636H

物性

構造計算による物性

XLogP: 3.3
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: 14
形式電荷: 0
複雑度: 188

物理化学的性質

融点: 58 · 58-60 °C(lit.)
沸点: 224 · 224.0±40.0 °C(Predicted)
比重(密度): 1.596 · 1.596±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 3.3 · 3.30±0.33(Predicted)
BRN: 8319619 · 8319619
InChI: 1S/C7H5Cl2F3N2/c8-4-1-3(7(10,11)12)2-5(9)6(4)14-13/h1-2,14H,13H2
InChIKey: FYOWOHMZNWQLFG-UHFFFAOYSA-N
SMILES: NNc1c(Cl)cc(cc1Cl)C(F)(F)F
CAS データベース: 86398 · 86398-94-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 44 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. 4 (97.7%)

安全データ

wgk: 3
hs_code: 29280000
risk_code: 20/21/22-36/37/38-40
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-27-36/37/39-45
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye 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 · 2 件

使用[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine may be used for the synthesis of pyrazolo[4,3-d]isoxazole derivatives. It may also be used in the synthesis of following N-(2,6-dichloro-4-trifluoromethyl)phenyl-N′-(1-phenylethylidene) hydrazines:N-(2,6-dichloro-4-trifluoromethyl)phenyl-N′-(1-phenylethylidene)hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(4-chlorophenyl)ethylidene]hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(3-chlorophenyl)ethylidene]hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(4-bromophenyl)-ethylidene]hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(3-bromophenyl)ethylidene]hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(4-methoxyphenyl)ethylidene]-hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(4-trifluoromethylphenyl)-ethylidene]hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(4-nitrophenyl)ethylidene]hydrazineN-(2,6-Dichloro-4-trifluoromethyl)phenyl-N′-[1-(6-methoxy-naphthalen-2-yl)-ethylidene]hydrazine

一般的な説明[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine is a hydrazine derivative. It reacts with excess of ethyl acetoacetate to afford 1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one.