4-クロロフロ[3,2-C]ピリジン

4-Chlorofuro[3,2-c]pyridine

HCID 2779746CAS 31270-80-1

部分構造検索類似構造を探す

基本情報

標準SMILES: Clc1nccc2occc12
InChIKey: OPFFYLJLHPZSEO-UHFFFAOYSA-N
分子式: C7H4ClNO
平均分子量: 153.56 g/mol
単同位体質量: 152.9981414

名称と識別子

優先名称: 4-Chlorofuro[3,2-c]pyridine
IUPAC: 4-chlorofuro[3,2-c]pyridine
現地名: 4-クロロフロ[3,2-C]ピリジン
英語名: 4-Chlorofuro[3,2-c]pyridine
分子式: C7H4ClNO
分子量: 153.57

名称と別名

4-chlorofuro[3,2-c]pyridine31270-80-1DTXSID503815334-Chlorofuro(3,2-c)pyridineRefChem:292119DTXCID80332558800-345-4Furo[3,2-c]pyridine, 4-chloro-4-Chloro-furo[3,2-c]pyridineMFCD021797684-chlorouro[3,2-c]pyridineSCHEMBL127374

名称をさらに表示

4-クロロフロ[3,2-C]ピリジン4‐クロロフロ[3,2‐C]ピリジン4-クロロフロ[3,2-C]ピリジンHYDROCHLORIDE104328Compound Fr13857SALOR-INT L299537-1EA4-CHLOROFURO[3,2-]PYRIDINE1. 4-Chlorofuro[3,2-C]Pyridine4-Chlorofuro[3,2-c]pyridine HCl4-CHLOROFURO[3,2-C]PYRIDINE 97%4-Chlorofuro[3,2-c]pyridine, 95+%

CHEBI:194642AKOS006229220CS-W002916PS-4421SB15349orb2567344orb2901869SCHEMBL6293173

データベース識別子

CAS: 31270-80-1
PubChem CID: 2779746
DTXSID: DTXSID50381533
ChEBI: CHEBI:194642
EC Number: 800-345-4
Nikkaji: J848.415E

物性

構造計算による物性

XLogP: 2.2
極性表面積: 26 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: 10
形式電荷: 0
複雑度: 131

物理化学的性質

融点: 41 °C · 41 °C
沸点: 243 ℃ · 243℃
比重(密度): 1.377 · 1.377
闪点: 101 ℃ · 101℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: solid
酸解離定数(Pka): -0.69 · -0.69±0.30(Predicted)
色: Orange
InChI: InChI=1S/C7H4ClNO/c8-7-5-2-4-10-6(5)1-3-9-7/h1-4H
InChIKey: OPFFYLJLHPZSEO-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC2OC=CC1=2

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (60%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (60%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 5 reports by companies from 5 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. 3 (20%)；Acute Tox. 4 (60%)；Acute Tox. 4 (60%)；Skin Irrit. 2 (80%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (60%)；STOT SE 3 (80%)