4-(4-メトキシフェニル)チオフェン-2-カルボン酸

4-(4-Methoxyphenyl)thiophene-2-carboxylic acid

HCID 2736770CAS 82437-74-9

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1ccc(-c2csc(C(=O)O)c2)cc1
InChIKey: NWNYSAILYSWCEI-UHFFFAOYSA-N
分子式: C12H10O3S
平均分子量: 234.27 g/mol
単同位体質量: 234.03506535

名称と識別子

優先名称: 4-(4-Methoxyphenyl)thiophene-2-carboxylic acid
IUPAC: 4-(4-methoxyphenyl)thiophene-2-carboxylic acid
現地名: 4-(4-メトキシフェニル)チオフェン-2-カルボン酸
英語名: 4-(4-Methoxyphenyl)thiophene-2-carboxylic acid
分子式: C12H10O3S
分子量: 234.27

名称と別名

4-(4-methoxyphenyl)thiophene-2-carboxylic acid82437-74-9DTXSID40371589RefChem:288131DTXCID50322623804-616-82-Thiophenecarboxylicacid, 4-(4-methoxyphenyl)-MFCD00203285Peakdale1_000535SCHEMBL1308594HMS519I07NWNYSAILYSWCEI-UHFFFAOYSA-N

名称をさらに表示

4-(4-メトキシフェニル)チオフェン-2-カルボン酸4-(p-メトキシフェニル)チオフェン-2-カルボン酸4-(4-methoxyphenyl)-2-thiophenecarboxaldehyde4-(4-Methoxyphenyl)thiophene-2-carboxylic acid 95+%JR-9052, 4-(4-Methoxyphenyl)thiophene-2-carboxylic acid, 97%4-(4-Methoxyphenyl)-2-thenoic acid, 4-(5-Carboxythien-3-yl)anisole

SBB098256AKOS015851952FS-1757DB-056611CS-0206138F023729SR-01000384850SR-01000384850-1

データベース識別子

CAS: 82437-74-9
PubChem CID: 2736770
DTXSID: DTXSID40371589
EC Number: 804-616-8
Nikkaji: J582.333A

物性

構造計算による物性

XLogP: 3.1
極性表面積: 74.8 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: 3
重原子数: 16
形式電荷: 0
複雑度: 249

物理化学的性質

融点: 193 · 193-169
沸点: 398.4 · 398.4±37.0 °C(Predicted)
比重(密度): 1.296 · 1.296±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 3.7 · 3.70±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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 39 reports by companies from 2 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 (97.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2934999090
risk_code: 22-36/37/38
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26

化学と産業

サプライヤー21 社

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Aladdin Scientific[email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

南京诺利斯医药科技有限公司13901585132 · [email protected]

Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]