5-ブロモ-2-クロロ-3-フルオロピリジン臭化物塩化物

5-Bromo-2-chloro-3-fluoropyridine

HCID 2763285

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 831203-13-5
標準SMILES: Fc1cc(Br)cnc1Cl
InChIKey: OEKXUEWGXWCENG-UHFFFAOYSA-N
分子式: C5H2BrClFN
平均分子量: 210.43 g/mol
単同位体質量: 208.90432

名称と識別子

優先名称: 5-Bromo-2-chloro-3-fluoropyridine
IUPAC: 5-bromo-2-chloro-3-fluoropyridine
現地名: 5-ブロモ-2-クロロ-3-フルオロピリジン臭化物塩化物
英語名: 5-Bromo-2-chloro-3-fluoropyridine
分子式: C5H2BrClFN
分子量: 210.43

名称と別名

5-Bromo-2-chloro-3-fluoropyridine831203-13-5DTXSID80376871RefChem:102111DTXCID90327899672-941-05-BROMO-2-CHLORO-3-FLUORO-PYRIDINEC5H2BrClFNMFCD03411574Pyridine, 5-bromo-2-chloro-3-fluoro-CS-D0950AB14161

名称をさらに表示

5-ブロモ-2-クロロ-3-フルオロピリジン臭化物塩化物5-ブロモ-2-クロロ-3-フルオロピリジン7-aminonicotinic acid5-Bromo-2-chloro-3-fluoropyridin3-BroMo-6-chloro-5-fluoropyridine5-Bromo-2-chloro-3-fluoropylidinePyridine,5-broMo-2-chloro-3-fluoro-2 - chloro 5 - bromo 3 - fluoro pyridine5-Bromo-2-chloro-3-fluoropyridine ISO 9001：2015 REACH

AC-4377GS-69045-Bromo-2-chloro-3-fluoropyridine, AldrichCPRA1-534132-CHLORO-3-FLUORO-5-BROMOPYRIDINEN-Benzylbenzo[d]isothiazolSCHEMBL16392OEKXUEWGXWCENG-UHFFFAOYSA-N

データベース識別子

CAS: 831203-13-5
PubChem CID: 2763285
DTXSID: DTXSID80376871
EC Number: 672-941-0

物性

構造計算による物性

XLogP: 2.6
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: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 103

物理化学的性質

融点: 50 · 50-52℃
沸点: 195.3 · 195.3±35.0 °C(Predicted)
比重(密度): 1.829 · 1.829±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): -2.44 · -2.44±0.10(Predicted)
外見: 個体
色: 白い
CAS データベース: 831203 · 831203-13-5(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (42.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 7 reports by companies from 6 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (42.9%)；Skin Irrit. 2 (85.7%)；Eye Irrit. 2 (85.7%)；STOT SE 3 (71.4%)

安全データ

hs_code: 2933399990
risk_code: 22-37/38-41
hazard_code: Xi,Xn
safety_code: 26-39
hazard_class: IRRITANT

化学と産業

応用分野

使用5-Bromo-2-chloro-3-fluoropyridine is an important organic chemical with a high reactivity that can be used in chemoselective amination reactions. It is also used as a pharmaceutical intermediate.