CAS 40155-28-0 2-Chloro-3-methoxypyrazine (HCID 11804891)

基本情報

CAS: 40155-28-0
標準SMILES: COc1nccnc1Cl
InChIKey: PUMFABSDZOUISK-UHFFFAOYSA-N
分子式: C5H5ClN2O
平均分子量: 144.56 g/mol
単同位体質量: 144.0090405

名称と識別子

優先名称: 2-Chloro-3-methoxypyrazine
IUPAC: 2-chloro-3-methoxypyrazine
現地名: 2-クロロ-3-メトキシピラジン塩化物
英語名: 2-Chloro-3-methoxypyrazine
分子式: C5H5ClN2O
分子量: 144.56

名称と別名

2-Chloro-3-methoxypyrazine40155-28-0DTXSID80473011RefChem:258561DTXCID90423825640-211-02-chloro-3-methoxy-pyrazineMFCD02684324Pyrazine, 2-chloro-3-methoxy-2-methoxy-3-chloro-pyrazineSCHEMBL725143SCHEMBL1526566

名称をさらに表示

2-クロロ-3-メトキシピラジン塩化物2-クロロ-3-メトキシピラジン2-BROMOTHIAZOL-4-A...2-Chloro-3-Methoxy-pyrazin2-Chloro-3-methoxy-1,4-diazine2-CHLORO-3-METHOXY PYRAZINE,98+%

PUMFABSDZOUISK-UHFFFAOYSA-NAKOS010967030AC-8789CS-W019381MB02506PS-5653SY027676DB-011986

データベース識別子

CAS: 40155-28-0
PubChem CID: 11804891
DTXSID: DTXSID80473011
EC Number: 640-211-0

物性

構造計算による物性

XLogP: 1
極性表面積: 35 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 91

物理化学的性質

融点: 31 · 31-32 °C
沸点: 180.3 · 180.3±35.0 °C(Predicted)
比重(密度): 1.292 · 1.292±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): -1.48 · -1.48±0.10(Predicted)

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 3 reports by companies from 3 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.