Methyl 3-amino-2-thiophenecarboxylate (HCID 89652)

이름 및 식별자

우선 이름: Methyl 3-amino-2-thiophenecarboxylate
IUPAC: methyl 3-aminothiophene-2-carboxylate
영어명: Methyl 3-amino-2-thiophenecarboxylate
분자식: C6H7NO2S
분자량: 157.19

이름 및 동의어

22288-78-4Methyl 3-aminothiophene-2-carboxylateMethyl 3-amino-2-thiophenecarboxylate2-Thiophenecarboxylic acid, 3-amino-, methyl ester3-Amino-thiophene-2-carboxylic acid methyl esterEINECS 244-895-8E7S8G23AHXDTXSID7073436RefChem:815157DTXCID3036658244-895-83-Aminothiophene-2-carboxylic acid methyl ester

이름 더 보기

3-aminothiophene-2-carboxylateM3AT2CAKOS 92421ina-5545-2Methyl3-amAKOS B020093Methyl 3-amino-2-3-Amino-2-thenoateRARECHEM AM UC 0123

MFCD000097653-Amino-2-thiophenecarboxylic Acid Methyl Ester3-Amino-2-carbomethoxythiophene64615-13-0methyl3-aminothiophene-2-carboxylateUNII-E7S8G23AHXBIDD:GT0444SCHEMBL102285

데이터베이스 식별자

CAS: 22288-78-4
PubChem CID: 89652
DTXSID: DTXSID7073436
UNII: E7S8G23AHX
EC Number: 244-895-8
Nikkaji: J207.957G

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 80.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 140

물리화학적 성질

녹는점: 62 · 62-64 °C (lit.)
끓는 점: 100 · 100-102 °C/0.1 mmHg (lit.)
밀도: 1.274 · 1.274 (estimate)
굴절률: 1.55 · 1.5500 (estimate)
인화점: 100 · 100-102°C/0.1mm
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: Soluble in alcohol, toluene, xylene and other solvents
물리적 상태: 미세 결정성 분말
산도 계수 (pKa): 1.86 · 1.86±0.10(Predicted)
색상: 베이지~베이지 브라운
수용성: 물에 약간 용해됩니다.
BRN: 1365614 · 1365614
InChI: InChI=1S/C6H7NO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,7H2,1H3
InChIKey: TWEQNZZOOFKOER-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)SC=CC=1N
EPA: 2 · 2-Thiophenecarboxylic acid, 3-amino-, methyl ester (22288-78-4)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (96.2%): Causes skin irritation [Warning Skin corrosion/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 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Irrit. 2 (96.2%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: XM8347500
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36/37/39-22
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Thiophenecarboxylic acid, 3-amino-, methyl ester: INACTIVE

응용 분야

용도Methyl 3-amino-2-thiophenecarboxylate was used in:the synthesis of 4-nitro and 4-aminothienyl ureastotal synthesis of quinazolinocarboline alkaloidspreparation of thienopyrimidinone analogs

일반 설명Methyl 3-amino-2-thiophenecarboxylate reacts with hydrazonoyl chlorides in the presence of triethylamine to yield corresponding N-arylamidrazones.

상·하류 제품 정보

상류 원료

하류 제품

2,4-Dichlorothieno[3,2-d]pyrimidine 3-(아세틸아미노)티오펜-2-카르복실산 3-(1H-PYRROL-1-YL)티오펜-2-카르복실산 2,4-Dichlorothieno[3,2-d]pyrimidine Methyl 3-aminosulfonylthiophene-2-carboxylate 메틸3-클로로티오펜-2-카복실레이트 3-클로로티오펜-2-카르박스아미드 메틸3-[(2-브로모아세틸)아미노]티오펜-2-카르복실레이트 2,4-Dihydroxythieno[3,2-d]pyrimidine 3-AMino-4-broMo-thiophene-2-카르복실산메틸에스테르 methyl 3-(phenylsulfonamido)thiophene-2-carboxylate 2-Thiophenecarboxylic acid, 3-[[(5-bromo-2,3-dihydro-7-benzofuranyl)sulfonyl]amino]-

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

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Methyl 3-amino-2-thiophenecarboxylate

기본 정보