5-에틸-티오펜-2-카르복실산

5-Ethylthiophene-2-carboxylic acid

HCID 588192CAS 23229-72-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCc1ccc(C(=O)O)s1
InChIKey: ZVBNGIDVTPTFCL-UHFFFAOYSA-N
분자식: C7H8O2S
평균 분자량: 156.2 g/mol
단동위원소 질량: 156.02450067

이름 및 식별자

우선 이름: 5-Ethylthiophene-2-carboxylic acid
IUPAC: 5-ethylthiophene-2-carboxylic acid
현지명: 5-에틸-티오펜-2-카르복실산
영어명: 5-ETHYL-THIOPHENE-2-CARBOXYLIC ACID
분자식: C7H8O2S
분자량: 156.2

이름 및 동의어

5-ethylthiophene-2-carboxylic acid23229-72-3DTXSID40343206RefChem:535582DTXCID60294286673-174-45-Ethyl-thiophene-2-carboxylic acid2-Thiophenecarboxylic acid, 5-ethyl-5-Ethyl-2-thiophenecarboxylic acidMFCD00130089CHEMBL4280745SCHEMBL262044

이름 더 보기

5-에틸-티오펜-2-카르복실산AKOS B000094AKOS MSC-0715RARECHEM AL BE 0391CHEMBRDG-BB 4402392ART-CHEM-BB B0000945-ethyl-2-thenoic acidASINEX-REAG BAS 102382925-ethyl-2-thiophenecarboxylate

5-ethylthiophene-2-carboxylicacidBDBM504677142-Thiophenecarboxylicacid, 5-ethyl-SCHEMBL127935ALBB-000936BBL028250SBB019480STK348654

데이터베이스 식별자

CAS: 23229-72-3
PubChem CID: 588192
DTXSID: DTXSID40343206
ChEMBL: CHEMBL4280745
EC Number: 673-174-4

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 69 °C · 69 °C
끓는 점: 286.1 · 286.1±28.0 °C(Predicted)
밀도: 1.257 · 1.257±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: solid
산도 계수 (pKa): 3.69 · 3.69±0.10(Predicted)
InChI: 1S/C7H8O2S/c1-2-5-3-4-6(10-5)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKey: ZVBNGIDVTPTFCL-UHFFFAOYSA-N
SMILES: CCc1ccc(s1)C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): 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 4 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (75%)；Eye Irrit. 2 (100%)；STOT SE 3 (75%)

안전 데이터

wgk: WGK 3
HS 번호: 2934999090
hazard_code: Xi
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

상·하류 제품 정보

상류 원료

공급사39 곳

上海莉凯化工技术有限公司16628776521 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Compound Net Biotechnology Inc.15266686121 · [email protected]

Aladdin Scientific[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

연결된 노트

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