5-Methyl-2-furohydrazide

HCID 4159250CAS 20842-19-7

基本情報

標準SMILES: Cc1ccc(C(=O)NN)o1
InChIKey: GKMDPPXBCLAACF-UHFFFAOYSA-N
分子式: C6H8N2O2
平均分子量: 140.14 g/mol
単同位体質量: 140.0585775

名称と識別子

優先名称: 5-Methyl-2-furohydrazide
IUPAC: 5-methylfuran-2-carbohydrazide
英語名: 2-Furancarboxylicacid,5-methyl-,hydrazide(9CI)
分子式: C6H8N2O2
分子量: 140.14

名称と別名

5-Methyl-2-furohydrazideRefChem:537010801-537-05-methylfuran-2-carbohydrazide20842-19-72-Furancarboxylic acid, 5-methyl-, hydrazideMFCD013659445-Methyl-2-furancarbohydrazideSCHEMBL108236CHEMBL5782956SCHEMBL16115649DTXSID60400082

名称をさらに表示

2-Furancarboxylicacid,5-methyl-,hydrazide(9CI)5-Methylfuran-2-carbohydrazide, 5-Methylfuran-2-carboxylic acid hydrazide

GKMDPPXBCLAACF-UHFFFAOYSA-NUS10752598, Example 9BDBM458067ALBB-026658GEO-02887AKOS000295912SB617635-Methyl-2-furancarboxylic acid hydrazide

データベース識別子

CAS: 20842-19-7
PubChem CID: 4159250
DTXSID: DTXSID60400082
ChEMBL: CHEMBL5782956
EC Number: 801-537-0
Nikkaji: J2.868.245J

物性

構造計算による物性

XLogP: 0.3
極性表面積: 68.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 138

物理化学的性質

融点: 61 · 61-62 °C
比重(密度): 1 · 1+-.0.06 g/cm3(Predicted)
酸解離定数(Pka): 12.34 · 12.34±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.