2,6-ビス(ブロモメチル)ピリジン

2,6-Bis(bromomethyl)pyridine

HCID 603610

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 7703-74-4
標準SMILES: BrCc1cccc(CBr)n1
InChIKey: QUTSYCOAZVHGGT-UHFFFAOYSA-N
分子式: C7H7Br2N
平均分子量: 264.94 g/mol
単同位体質量: 262.89452342

名称と識別子

優先名称: 2,6-Bis(bromomethyl)pyridine
IUPAC: 2,6-bis(bromomethyl)pyridine
現地名: 2,6-ビス(ブロモメチル)ピリジン
英語名: 2,6-Bis(bromomethyl)pyridine
分子式: C7H7Br2N
分子量: 264.95

名称と別名

2,6-Bis(bromomethyl)pyridine7703-74-4DTXSID70345314RefChem:445219DTXCID80296388628-946-5MFCD00191795Pyridine, 2,6-bis(bromomethyl)-2,6-Di(bromomethyl)pyridine2,6-Bis(bromomethyl)pyridine #alpha,alpha'-dibromo-2,6-lutidineAS-40739

名称をさらに表示

2,6-ビス(ブロモメチル)ピリジン2,6-ジ(ブロモメチル)ピリジンSKL6502,6-Bis(bromoethyl)pyridine2,6-Bis(broMoMethyl)pyridine 98%2,6-Bis(bromomethyl)pyridine >alpha,alpha'-Dibromo-2,6-lutidine2,6-BIS(BROMOMETHYL)PYRIDINE ISO 9001：2015 REACH

SY053771EN300-194164AM8043442,6-Bis(bromomethyl)pyridA846454SCHEMBL245158ALBB-023566SBB071671

データベース識別子

CAS: 7703-74-4
PubChem CID: 603610
DTXSID: DTXSID70345314
EC Number: 628-946-5
Nikkaji: J752.400E

物性

構造計算による物性

XLogP: 2
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 87.6

物理化学的性質

融点: 85 · 85-87 °C(lit.)
沸点: 275.6 · 275.6±30.0 °C(Predicted)
比重(密度): 1.87 · 1.870±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: powder to crystaline
酸解離定数(Pka): 1.65 · 1.65±0.24(Predicted)
色: White to Almost white
InChI: InChI=1S/C7H7Br2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
InChIKey: QUTSYCOAZVHGGT-UHFFFAOYSA-N
SMILES: C1(CBr)=NC(CBr)=CC=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 41 reports by companies from 4 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
ridadr: UN 3335
hs_code: 29333990
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36/37/39
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用2,6-Bis(bromomethyl)pyridine may be used in the preparation of the following:a new pyridine-pyrazole derivative, 2,6-bis(3,5-diphenylpyrazol-1-ylmethyl)pyridinea large macrocyclic ligand, N(1),N(7)-pyridine-2,6-dimethyl-N(2),N(6)-bis(6-(3-(1H-benzo[d]imidazol-1-yl)propanamido)pyridin-2-yl)pyridine-2,6-dicarboxamide dibromidesmall-ring, potentially tridentate Se(2)N(pyridyl)-donor macrocycles

一般的な説明Crystal of 2,6-bis(bromomethyl)pyridine has the molecules related by a c-glide-plane operation. Molecules are arranged into stacks along the c axis. It participates in the synthesis of dicationic imidazolium-linked cyclophane.