CAS 19646-06-1 4,6-Diiodopyrimidine (HCID 15760295)

基本情報

CAS: 19646-06-1
標準SMILES: Ic1cc(I)ncn1
InChIKey: LBVUFZJYMWUZIW-UHFFFAOYSA-N
分子式: C4H2I2N2
平均分子量: 331.88 g/mol
単同位体質量: 331.83074

名称と識別子

優先名称: 4,6-Diiodopyrimidine
IUPAC: 4,6-diiodopyrimidine
現地名: 4,6-ジヨードピリミジン
英語名: 4,6-Diiodopyrimidine
分子式: C4H2I2N2
分子量: 331.88

名称と別名

4,6-Diiodopyrimidine19646-06-1DTXSID30578060RefChem:285866DTXCID60528831694-917-9MFCD002339514,6-diiodo-pyrimidineSCHEMBL2556484,6-Diiodopyrimidine, AldrichCPRSB58003AC-27298

名称をさらに表示

4,6-ジヨードピリミジン4,6-Diiodo-1,3-diazine4,6-DIIODOPYRIMIDINE ISO 9001：2015 REACH

CS-16494Pyrimidine, 4,6-diiodo-SY035396N10410EN300-7368339AC-907/25004270Pyrimidine, 4,6-AM100462

データベース識別子

CAS: 19646-06-1
PubChem CID: 15760295
DTXSID: DTXSID30578060
EC Number: 694-917-9
Nikkaji: J1.227.383E

物性

構造計算による物性

XLogP: 1.6
極性表面積: 25.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 70

物理化学的性質

沸点: 333.9 · 333.9±22.0 °C(Predicted)
比重(密度): 2.765 · 2.765±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): -3.02 · -3.02±0.17(Predicted)
外見: solid
色: Brown to reddish brown

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.