4-(4-메톡시페닐)티오펜-2-카르복실산

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

HCID 2736770CAS 82437-74-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(-c2csc(C(=O)O)c2)cc1
InChIKey: NWNYSAILYSWCEI-UHFFFAOYSA-N
분자식: C12H10O3S
평균 분자량: 234.27 g/mol
단동위원소 질량: 234.03506535

이름 및 식별자

우선 이름: 4-(4-Methoxyphenyl)thiophene-2-carboxylic acid
IUPAC: 4-(4-methoxyphenyl)thiophene-2-carboxylic acid
현지명: 4-(4-메톡시페닐)티오펜-2-카르복실산
영어명: 4-(4-Methoxyphenyl)thiophene-2-carboxylic acid
분자식: C12H10O3S
분자량: 234.27

이름 및 동의어

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

이름 더 보기

4-(4-메톡시페닐)티오펜-2-카르복실산4-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 74.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 249

물리화학적 성질

녹는점: 193 · 193-169
끓는 점: 398.4 · 398.4±37.0 °C(Predicted)
밀도: 1.296 · 1.296±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.7 · 3.70±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2934999090
risk_code: 22-36/37/38
hazard_code: Xi,Xn
safety_code: 26
위험 참고 사항: Irritant

화학 및 산업

공급사21 곳

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]

연결된 노트

불러오는 중…