Ethyl 2-amino-4,5-dimethyl3-thenoate (HCID 78536)

이름 및 식별자

우선 이름: Ethyl 2-amino-4,5-dimethyl3-thenoate
IUPAC: ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate
영어명: ETHYL 2-AMINO-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE
분자식: C9H13NO2S
분자량: 199.27

이름 및 동의어

ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate4815-24-13-Thiophenecarboxylic acid, 2-amino-4,5-dimethyl-, ethyl esterEthyl 2-amino-4,5-dimethyl3-thenoate2-Amino-4,5-dimethyl-3-thiophenecarboxylic acid ethyl esterR50Y14M25SEINECS 225-387-5NSC 86908NSC-86908UNII-R50Y14M25S2-amino-3-carbethoxy-4,5-dimethylthiopheneDTXSID30197437

이름 더 보기

AKOS 92580AURORA 4294AKOS B000515AKOS MSC-0423Ethyl 2-aMino-4BUTTPARK 30\06-10AKOS BBS-00002580IFLAB-BB F0777-0822ART-CHEM-BB B000515TIMTEC-BB SBB005519

2-AMINO-3-(ETHOXYCARBONYL)-4,5-DIMETHYLTHIOPHENERefChem:138563DTXCID40119928225-387-5MFCD00085051NSC869082-amino-4,5-dimethylthiophene-3-carboxylic acid ethyl esterEthyl 2-amino-4,5-dimethyl-3-thiophenecarboxylate

데이터베이스 식별자

CAS: 4815-24-1
PubChem CID: 78536
DTXSID: DTXSID30197437
UNII: R50Y14M25S
EC Number: 225-387-5
Nikkaji: J262.476A

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 80.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 198

물리화학적 성질

녹는점: 90 °C · 90 °C
끓는 점: 302.9 · 302.9±37.0 °C(Predicted)
밀도: 1.185 · 1.185±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 0.56 · 0.56±0.10(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C9H13NO2S/c1-4-12-9(11)7-5(2)6(3)13-8(7)10/h4,10H2,1-3H3
InChIKey: JYSDXODDWAQWJR-UHFFFAOYSA-N
SMILES: C1(N)SC(C)=C(C)C=1C(OCC)=O

화학적 성질

Yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (40%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (40%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (80%): 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, P317, 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 5 reports by companies from 4 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 (40%)；Acute Tox. 4 (40%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (40%)；STOT SE 3 (80%)

안전 데이터

wgk: WGK 3
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

유황 N,N-다이메틸폼아마이드 메틸에틸케톤 트리에틸아민 에틸 사이아노아세테이트 에틸알코올 다이에틸아민

하류 제품

5,6-디메틸티에노[2,3-D]피리미딘-4(3H)-티온 5,6-dimethyl-3-(4-methylphenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one ethyl 2-(acetylamino)-4,5-dimethylthiophene-3-carboxylate 에틸2-이소티오시아나토-4,5-디메틸티오펜-3-카르복실레이트 (4,5-디메틸-3-티에닐)메탄올(염분데이터:무료)3-AMINO-5,6-DIMETHYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE

공급사50 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]

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

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

연결된 노트

불러오는 중…

Ethyl 2-amino-4,5-dimethyl3-thenoate

기본 정보