CAS 17643-54-8 Methyl hydrazidodicarboxylate (HCID 265934)

基本情報

CAS: 17643-54-8
標準SMILES: COC(=O)NNC(=O)OC
InChIKey: BPJLPBVJCYVEAC-UHFFFAOYSA-N
分子式: C4H8N2O4
平均分子量: 148.12 g/mol
単同位体質量: 148.04840674

名称と識別子

優先名称: Methyl hydrazidodicarboxylate
IUPAC: methyl N-(methoxycarbonylamino)carbamate
現地名: ヒドラゾジカルボン酸メチル
英語名: Methyl hydrazodicarboxylate
分子式: C4H8N2O4
分子量: 148.12

名称と別名

Methyl hydrazidodicarboxylateRefChem:817777859-184-3dimethyl hydrazine-1,2-dicarboxylate17643-54-8methyl N-(methoxycarbonylamino)carbamateN'-(methoxycarbonyl)methoxycarbohydrazideMethyl hydrazodicarboxylateMFCD00216943NSC1027271,2-dicarbomethoxyhydrazineNCIOpen2_001904

名称をさらに表示

ヒドラゾジカルボン酸メチルdimethyl bicarbamateMethyl hydrazodicarboxylate, 99+%N,N'-Bis(methoxycarbonyl)hydrazineN,N'-Bis-(methoxycarbonyl)-hydrazindimethyl 1,2-hydrazinedicarboxylate1,2-Hydrazinedicarboxylic acid dimethyl ester

NCIOpen2_003817SCHEMBL7784530DTXSID20295532GEO-01847NSC408458AKOS005255100NSC-102727NSC-408458

データベース識別子

CAS: 17643-54-8
PubChem CID: 265934
DTXSID: DTXSID20295532
EC Number: 859-184-3
Nikkaji: J1.537.953G

物性

構造計算による物性

XLogP: -0.1
極性表面積: 76.7 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 119

物理化学的性質

融点: 129 · 129-131 °C
沸点: 268.68 °C · 268.68°C (rough estimate)
比重(密度): 1.5415 · 1.5415 (rough estimate)
屈折率: 1.4455 · 1.4455 (estimate)
酸解離定数(Pka): 8.5 · 8.50±0.43(Predicted)

化学的性質

化学的特性white to light beige crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.