CAS 32779-37-6 2,5-Dibromopyrimidine (HCID 10955588)

基本情報

CAS: 32779-37-6
標準SMILES: Brc1cnc(Br)nc1
InChIKey: XAHITOJPIWZJHD-UHFFFAOYSA-N
分子式: C4H2Br2N2
平均分子量: 237.88 g/mol
単同位体質量: 235.85847226

名称と識別子

優先名称: 2,5-Dibromopyrimidine
IUPAC: 2,5-dibromopyrimidine
現地名: 2,5-ジブロモピリミジン臭化物
英語名: 2,5-Dibromopyrimidine
分子式: C4H2Br2N2
分子量: 237.88

名称と別名

2,5-dibromopyrimidine32779-37-6DTXSID30449726RefChem:247302DTXCID60400547689-451-8Pyrimidine, 2,5-dibromo-MFCD082756842,5-dibromo-PyrimidineSCHEMBL1986512,5-Dibromopyrimidine, 97%AKOS007930456

名称をさらに表示

2,5-ジブロモピリミジン臭化物2,5-ジブロモピリミジン5-Dibromopyrimidine2,5-dibroMopyriMinde2,5-dibromopyrimidinMacitentan Impurity 552,5-Dibromopyrimidine>Pyrimidine, 2,5-dibromo-2,5-Dibromopyrimidine, 98%2,5-DIBROMOPYRIMIDINE, 95+%2,5-Dibromopyrimidine ISO 9001：2015 REACH

CS-11326SY015869D4225EN300-67369AM200904825-bromo,2-bromo-pyrimidineBBL101687SBB098867

データベース識別子

CAS: 32779-37-6
PubChem CID: 10955588
DTXSID: DTXSID30449726
EC Number: 689-451-8
Nikkaji: J3.553.688D

物性

構造計算による物性

XLogP: 1.9
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: 70.4

物理化学的性質

融点: 83 to · 83.0 to 87.0 °C
沸点: 316.6 · 316.6±34.0 °C(Predicted)
比重(密度): 2 · 2+-.0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: soluble in Methanol
外見: powder to crystal
酸解離定数(Pka): -2.97 · -2.97±0.22(Predicted)
色: White to Almost white
InChI: InChI=1S/C4H2Br2N2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKey: XAHITOJPIWZJHD-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(Br)C=N1
CAS データベース: 32779 · 32779-37-6

化学的性質

化学的特性Off-White crystal

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

安全データ

wgk: 3
hs_code: 29335990
risk_code: 22-41-36/37/38
hazard_code: Xn
safety_code: 26-39-36/37/39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用2,5-Dibromopyrimidine is a pyrimidine compound with two reactive groups, bromine atoms, at the 2 and 5 positions. It is used as a raw material for the synthesis of many compounds or pharmaceutical intermediates.