4-Chloro-6-hydrazinylpyrimidine

HCID 247222CAS 5767-35-1

基本情報

標準SMILES: NNc1cc(Cl)ncn1
InChIKey: NYXYZCSAJZLFEH-UHFFFAOYSA-N
分子式: C4H5ClN4
平均分子量: 144.56 g/mol
単同位体質量: 144.02027384

名称と識別子

優先名称: 4-Chloro-6-hydrazinylpyrimidine
IUPAC: (6-chloropyrimidin-4-yl)hydrazine
英語名: 4-Chloro-6-hydrazinopyrimidine
分子式: C4H5ClN4
分子量: 144.56

名称と別名

4-chloro-6-hydrazinylpyrimidineRefChem:521608814-807-84-Chloro-6-hydrazinopyrimidine5767-35-1(6-chloropyrimidin-4-yl)hydrazine4(1H)-Pyrimidinone, 6-chloro-, hydrazoneMFCD016460954-hydrazino-6-chloropyrimidineNSC61591SCHEMBL5648904-chloro-6-hydrazino-pyrimidine

名称をさらに表示

4-chloro-6-aziridinylpyrimidine(6-chloro-4-pyrimidinyl)hydrazinePyrimidine, 4-chloro-6-hydrazinyl-4-Chloro-6-hydrazinopyriMidine, 95+%4(1H)-Pyrimidinone, 6-chloro-, hydrazone (9CI)

3-Chloro-6-hydrazino-pyrimidineDTXSID002894946-chloro-4-hydrazinopyrimidine4-Chloro-6-hydrSCHEMBL300448274-chloro-6-hydrazineylpyrimidine6-chloropyrimidine-4-ylhydrazine4-Chloro-6-hydrazinopyrimidine #

データベース識別子

CAS: 5767-35-1
PubChem CID: 247222
DTXSID: DTXSID00289494
EC Number: 814-807-8
Nikkaji: J3.805.476G

物性

構造計算による物性

XLogP: 0.7
極性表面積: 63.8 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: 1
重原子数: 9
形式電荷: 0
複雑度: 88.6

物理化学的性質

融点: 164 · 164-165 °C
沸点: 254.8 · 254.8±50.0 °C(Predicted)
比重(密度): 1.63 · 1.63±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): 7.29 · 7.29±0.70(Predicted)
CAS データベース: 5767 · 5767-35-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.