메틸3-아미노-4-페닐티오펜-2-카르복실레이트

Methyl 3-amino-4-phenylthiophene-2-carboxylate

HCID 2759782CAS 82437-64-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1scc(-c2ccccc2)c1N
InChIKey: UKWKMKNACSKDCN-UHFFFAOYSA-N
분자식: C12H11NO2S
평균 분자량: 233.29 g/mol
단동위원소 질량: 233.05104977

이름 및 식별자

우선 이름: Methyl 3-amino-4-phenylthiophene-2-carboxylate
IUPAC: methyl 3-amino-4-phenylthiophene-2-carboxylate
현지명: 메틸3-아미노-4-페닐티오펜-2-카르복실레이트
영어명: Methyl 3-amino-4-phenylthiophene-2-carboxylate
분자식: C12H11NO2S
분자량: 233.29

이름 및 동의어

methyl 3-amino-4-phenylthiophene-2-carboxylate82437-64-7DTXSID10374906RefChem:354833DTXCID90325936672-794-2MFCD002064503-Amino-4-phenyl-2-thiophenecarboxylic acid methyl estermethyl 3-amino-4-phenyl-thiophene-2-carboxylateSCHEMBL1883906UKWKMKNACSKDCN-UHFFFAOYSA-NSBB098105

이름 더 보기

메틸3-아미노-4-페닐티오펜-2-카르복실레이트Methyl 3-amino-4-phenylthiophene-2-carboxylate ,98%2-Thiophenecarboxylic acid, 3-amino-4-phenyl-, methyl esterJR-8062, Methyl 3-amino-4-phenylthiophene-2-carboxylate, 97%

STL125469AKOS005726350FS-1447SB66984SY0775403-amino-2-methoxycarbonyl-4-phenylthiopheneDB-075843EN300-211151

데이터베이스 식별자

CAS: 82437-64-7
PubChem CID: 2759782
DTXSID: DTXSID10374906
EC Number: 672-794-2

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 80.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 253

물리화학적 성질

녹는점: 69 °C · 69 °C
밀도: 1.265 · 1.265
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: solid
InChI: InChI=1S/C12H11NO2S/c1-15-12(14)11-10(13)9(7-16-11)8-5-3-2-4-6-8/h2-7H,13H2,1H3
InChIKey: UKWKMKNACSKDCN-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)SC=C(C2=CC=CC=C2)C=1N

화학적 성질

Light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.；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 (100%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 22
hazard_code: Xn
safety_code: 24/25
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

4-Phenyl-3-pyrrol-1-yl-thiophene-2-carboxylic acid

공급사17 곳

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

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

南京维奥化工有限公司Please Send Email 18652950785 · [email protected]

河南赢创生物科技有限公司15672878902 · [email protected]

연결된 노트

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