2-(2-ヒドロキシフェニル)-1,3,4-オキサジアゾール

Fenadiazole

HCID 13883CAS 1008-65-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Oc1ccccc1-c1nnco1
InChIKey: OINXXHYENYVYPB-UHFFFAOYSA-N
分子式: C8H6N2O2
平均分子量: 162.15 g/mol
単同位体質量: 162.04292744

名称と識別子

優先名称: Fenadiazole
IUPAC: 2-(1,3,4-oxadiazol-2-yl)phenol
現地名: 2-(2-ヒドロキシフェニル)-1,3,4-オキサジアゾール
英語名: 2-(1,3,4-Oxadiazol-2-yl)phenol
分子式: C8H6N2O2
分子量: 162.15

名称と別名

2-(1,3,4-Oxadiazol-2-yl)phenolFenadiazoleFenadiazolHypnazolEudormilViodorFenadiazolumJL 512o-1,3,4-Oxadiazol-2-ylphenolPHENOL, 2-(1,3,4-OXADIAZOL-2-YL)-Phenol, o-1,3,4-oxadiazol-2-yl-J. L. 512

名称をさらに表示

ヒプナゾール2-(1,3,4-オキサジアゾール-2-イル)フェノール2-(2-ヒドロキシフェニル)-1,3,4-オキサジアゾールフェナジアゾール2-(1,3,4-オキサジアゾール-2-イル)ベンゼノールJL-512NSC100729NSC-100729Phenadiazole

Fenadiazole [INN:DCF]Fenadiazol [INN-Spanish]Fenadiazolum [INN-Latin]2-(o-Hydroxyphenyl)-1,3,4-oxadiazoleNSC 100729DTXSID7057608UNII-8YX6HIZ0IP8YX6HIZ0IP

データベース識別子

CAS: 1008-65-7
PubChem CID: 13883
DTXSID: DTXSID7057608
ChEMBL: CHEMBL1903897
ChEBI: CHEBI:134791
UNII: 8YX6HIZ0IP
EC Number: 680-965-8
Nikkaji: J7.218D

物性

構造計算による物性

XLogP: 1.1
極性表面積: 59.2 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 154

物理化学的性質

融点: 100 °C · 100 °C
沸点: 0.1 · bp0.1 180°
比重(密度): 1.324 · 1.324±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: 10 mg/mlEthanol: · DMSO: Soluble: = 10 mg/mlEthanol: Soluble: = 10 mg/ml
酸解離定数(Pka): 7.84 · 7.84±0.30(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): 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, 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 6 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)；Skin Irrit. 2 (83.3%)；Eye Irrit. 2A (83.3%)；STOT SE 3 (83.3%)

安全データ

rtecs: SM5850000
毒性: LD50 intraperitoneal in mouse: 940mg/kg
hs_code: 2934999090
hazard_class: IRRITANT

化学と産業

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