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HCID 89652생성일: 2026년 10월 25일

Methyl 3-amino-2-thiophenecarboxylate

METHYL 3-AMINOTHIOPHENE-2-CARBOXYLATE · 3-aminothiophene-2-carboxylate · M3AT2C · AKOS 92421 · ina-5545-2 · Methyl3-am · AKOS B020093 · Methyl 3-amino-2-

https://huagongshe.com/ko/chemical/89652

Methyl 3-amino-2-thiophenecarboxylate 분자 구조식

식별자 및 물리적 특성

CAS No.22288-78-4
분자식C6H7NO2S
평균 분자량157.19 g/mol
단동위원소 질량157.01974946 g/mol
SMILESCOC(=O)c1sccc1N
InChIKeyTWEQNZZOOFKOER-UHFFFAOYSA-N
PubChem CID89652
EC No.244-895-8
DTXSIDDTXSID7073436

화학 및 물리적 성질

XLogP1.7
극성 표면적80.6
수소 결합 공여자 수1
수소 결합 수용자 수4
회전 가능 결합 수2
무거운 원자 수10
형식 전하0
복잡도140
녹는점62-64 °C (lit.)
끓는 점100-102 °C/0.1 mmHg (lit.)
밀도1.274 (estimate)
굴절률1.5500 (estimate)
인화점100-102°C/0.1mm
저장 조건Keep in dark place,Inert atmosphere,Room temperature
용해도Soluble in alcohol, toluene, xylene and other solvents
물리적 상태미세 결정성 분말
pKa(산도 계수)1.86±0.10(Predicted)
색상베이지~베이지 브라운
용해도물에 약간 용해됩니다.
BRN1365614
InChIInChI=1S/C6H7NO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,7H2,1H3
InChIKeyTWEQNZZOOFKOER-UHFFFAOYSA-N
SMILESC1(C(OC)=O)SC=CC=1N
EPA2-Thiophenecarboxylic acid, 3-amino-, methyl ester (22288-78-4)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류WarningH315 (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.
규제 정보PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (96.2%)
수질 위해 등급(WGK)3
TSCA 등재 상태TSCA listed
RTECS 번호XM8347500
관세 코드29349990
위험 문구(R)36/37/38
위험 표시Xi
안전 문구(S)26-37/39-36/37/39-22
위험 등급IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류11 - Combustible Solids

용도

용도

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

일반 설명

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

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