CAS 116477-30-6 N-(4,6-dichloro-2-formamido-pyrimidin-5-yl)formamide (HCID 13989892)

基本情報

CAS: 116477-30-6
標準SMILES: O=CNc1nc(Cl)c(NC=O)c(Cl)n1
InChIKey: SJUZRTBKERGCTK-UHFFFAOYSA-N
分子式: C6H4Cl2N4O2
平均分子量: 235.02 g/mol
単同位体質量: 233.97113073

名称と識別子

優先名称: N-(4,6-dichloro-2-formamido-pyrimidin-5-yl)formamide
IUPAC: N-(4,6-dichloro-2-formamidopyrimidin-5-yl)formamide
英語名: N-(4,6-DICHLORO-5-FORMYLAMINO-PYRIMIDIN-2-YL)-FORMAMIDE
分子式: C6H4Cl2N4O2
分子量: 235.03

名称と別名

N-(4,6-dichloro-2-formamido-pyrimidin-5-yl)formamideRefChem:826760686-734-8116477-30-6N,N'-(4,6-Dichloropyrimidine-2,5-diyl)diformamide4,6-Dichloro-2,5-diformamidopyrimidineN-(4,6-dichloro-2-formamidopyrimidin-5-yl)formamideN-(4,6-DICHLORO-5-FORMYLAMINO-PYRIMIDIN-2-YL)-FORMAMIDE2,5-diaminoformyl-4,6-dichloropyrimidineEC 686-734-84,6-dichloro-2,5-diformamido-pyrimidineFormamide, N-[4,6-dichloro-2-(formylamino)-5-pyrimidinyl]-; Formamide, N,N'-(4,6-dichloro-2,5-pyrimidinediyl)bis- (9CI); N-[4,6-Dichloro-2-(formylamino)-5-pyrimidinyl]formamide; 4,6-Dichloro-2,5-diformamidopyridine; 4,6-Dichloro-2,5-diformamidopyrimidine; N,N'-(4,6-Dichloropyrimidine-2,5-diyl)diformamide

名称をさらに表示

N-(4,6-dichloro-5-formylamino-pyrimidin-2-yl)-formamidFormamide, N-[4,6-dichloro-2-(formylamino)-5-pyrimidinyl]-N,N-(4,6-DICHLOROPYRIMIDINE-2,5-DIYL)DIFORMAMIDE(WXC07164)

C6H4Cl2N4O2SCHEMBL2054828DTXSID30553872SJUZRTBKERGCTK-UHFFFAOYSA-NMFCD04974512AKOS022172783SB60240CS-0106606

データベース識別子

CAS: 116477-30-6
PubChem CID: 13989892
DTXSID: DTXSID30553872
EC Number: 686-734-8

物性

構造計算による物性

XLogP: 0.8
極性表面積: 84 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: 14
形式電荷: 0
複雑度: 206

物理化学的性質

沸点: 546.2 · 546.2±60.0 °C(Predicted)
比重(密度): 1.762 · 1.762±0.06 g/cm3(Predicted)
溶解性: DMSO (Slightly), Ethyl Acetate (Slightly, HEated, Sonicated)
外見: Solid
酸解離定数(Pka): 10.41 · 10.41±0.70(Predicted)
色: White to Off-White

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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