5‐メチルオキサゾール‐4‐カルボン酸

5-methyl-1,3-oxazole-4-carboxylic Acid

HCID 11355484

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 103879-58-9
標準SMILES: Cc1ocnc1C(=O)O
InChIKey: QIACATCUODRSLS-UHFFFAOYSA-N
分子式: C5H5NO3
平均分子量: 127.1 g/mol
単同位体質量: 127.02694302

名称と識別子

優先名称: 5-methyl-1,3-oxazole-4-carboxylic Acid
IUPAC: 5-methyl-1,3-oxazole-4-carboxylic acid
現地名: 5‐メチルオキサゾール‐4‐カルボン酸
英語名: 5-METHYL-1,3-OXAZOLE-4-CARBOXYLIC ACID
分子式: C5H5NO3
分子量: 127.1

名称と別名

103879-58-95-methyl-1,3-oxazole-4-carboxylic AcidDTXSID50463242RefChem:303911DTXCID40414061805-950-75-methyloxazole-4-carboxylic acidMFCD080563094-Oxazolecarboxylic acid, 5-methyl-5-methyl-4-oxazolecarboxylic acidSCHEMBL4397215-Methyl-oxazole-4-carboxylic acid

名称をさらに表示

5‐メチルオキサゾール‐4‐カルボン酸5-メチル-1,3-オキサゾール-4-カルボン酸5-メチルオキサゾール-4-カルボン酸5-Methyl-oxazol-4-carboxylic acid4-Carboxy-5-methyl-1,3-oxazole5-Methyl-1,3-oxazole-4-carboxylicacid98%5-methyl-1,3-oxazole-4-carboxylic acid(SALTDATA: FREE)

QIACATCUODRSLS-UHFFFAOYSA-NALBB-022765SBB053173AKOS001836446DS-0303PS-5718SY015419DB-032179

データベース識別子

CAS: 103879-58-9
PubChem CID: 11355484
DTXSID: DTXSID50463242
EC Number: 805-950-7

物性

構造計算による物性

XLogP: 0.6
極性表面積: 63.3 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: 9
形式電荷: 0
複雑度: 125

物理化学的性質

沸点: 274 ℃ · 274℃
比重(密度): 1.348 · 1.348
闪点: 120 ℃ · 120℃
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 3.06 · 3.06±0.31(Predicted)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).；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.