トリフルオロ酢酸ヒドラジド

Trifluoroacetohydrazide

HCID 229753

ノート反応

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基本情報

CAS: 1538-08-5
標準SMILES: NNC(=O)C(F)(F)F
InChIKey: OFUCCBIWEUKISP-UHFFFAOYSA-N
分子式: C2H3F3N2O
平均分子量: 128.05 g/mol
単同位体質量: 128.01974738

名称と識別子

優先名称: Trifluoroacetohydrazide
IUPAC: 2,2,2-trifluoroacetohydrazide
現地名: トリフルオロ酢酸ヒドラジド
英語名: Trifluoroacetic acid hydrazide
分子式: C2H3F3N2O
分子量: 128.05

名称と別名

TRIFLUOROACETOHYDRAZIDERefChem:899578671-964-32,2,2-trifluoroacetohydrazide1538-08-5Trifluoroacetic acid hydrazideMFCD00221440C2H3F3N2ONSC-23683TRIFLUOROACETYL HYDRAZIDEAcetic acid, trifluoro-, hydrazideTrifluoroaceticaceticacid hydrazide

名称をさらに表示

トリフルオロ酢酸ヒドラジドuoroacetohydrazideTrifluoroacetyl hydrazineHydrazine trifluoroacetate46 Tri-FluoroacetylhydrazineTrifluoroacetohydrazide, tech1,3-bis(4-nitrophenyl)-2-propanone2,2,2-Trifluoroacetohydrazide 95%

NSC23683trifluoroacethydrazideCF3CONHNH2(Trifluoroacetyl)hydrazineY6KG7L6PLCN-(trifluoroacetyl)hydrazineSCHEMBL181090trifluoro acetic acid hydrazide

データベース識別子

CAS: 1538-08-5
PubChem CID: 229753
DTXSID: DTXSID10281969
UNII: Y6KG7L6PLC
EC Number: 671-964-3
Nikkaji: J1.903.496H

物性

構造計算による物性

XLogP: -0.1
極性表面積: 55.1 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: 0
重原子数: 8
形式電荷: 0
複雑度: 97.9

物理化学的性質

融点: 111 °C · 111 °C
沸点: 84 · 84-86 °C(Press: 14 Torr)
比重(密度): 1.462 · 1.462±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
外見: solid
酸解離定数(Pka): 9.47 · 9.47±0.20(Predicted)
色: White

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 42 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 (97.6%)

安全データ

hs_code: 2916199590
risk_code: 36/37/38
safety_code: 26-36/37/39

化学と産業

応用分野

使用Trifluoroacetic acid hydrazide is used in chemical synthesis applications. It is used in the preparation of sitagliptin intermediates, pyridazinone derivatives and fluoronitrocarboxylic acid hydrazides, among other organic compounds.