Methyl 4-aminothiophene-3-carboxylate Hydrochloride

HCID 2777609CAS 39978-14-8

기본 정보

표준 SMILES: COC(=O)c1cscc1N.Cl
InChIKey: JGIRDDQLZLXRKQ-UHFFFAOYSA-N
분자식: C6H8ClNO2S
평균 분자량: 193.65 g/mol
단동위원소 질량: 192.99642718

이름 및 식별자

우선 이름: Methyl 4-aminothiophene-3-carboxylate Hydrochloride
IUPAC: methyl 4-aminothiophene-3-carboxylate;hydrochloride
영어명: METHYL 3-AMINOTHIOPHENE-4-CARBOXYLATE HYDROCHLORIDE
분자식: C6H8ClNO2S
분자량: 193.65

이름 및 동의어

Methyl 4-aminothiophene-3-carboxylate Hydrochloride39978-14-8DTXSID10380587RefChem:355582DTXCID90331613640-892-4Methyl 3-aminothiophene-4-carboxylate hydrochlorideMFCD00068149methyl 4-aminothiophene-3-carboxylate;hydrochloride3-carbomethoxy-4-aminothiophene hydrochloridemethyl 4-aminothiophen-3-carboxylate hydrochlorideA824834

이름 더 보기

CARBOXYLATE HYDROCHLORIDEmethyl4-aminothiophene-3-carboxylateHCl(4-methoxycarbonylthiophen-3-yl)azaniumMethyl 3-aminothiophene-4-carboxylate, HCl4-amino-3-thiophenecarboxylic acid methyl ester3-AMino-4-Methoxycarbonylthiophene hydrochloride4-Amino-3-(methoxycarbonyl)thiophene hydrochloridemethyl 3-amino-4-thiophenecarboxylate hydrochlorideMethyl 4-aMino-3-thiophenecarboxylate hydrochloride

SCHEMBL1845722JGIRDDQLZLXRKQ-UHFFFAOYSA-N3-Thiophenecarboxylic acid, 4-amino-, methyl ester, hydrochlorideSBB091646AKOS005067931CS-W015760DS-0202PB42745

데이터베이스 식별자

CAS: 39978-14-8
PubChem CID: 2777609
DTXSID: DTXSID10380587
EC Number: 640-892-4

물성

구조 계산 물성

극성 표면적: 80.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 140

물리화학적 성질

녹는점: 203 · 203-204°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 가루
색상: 갈색
InChI: InChI=1S/C6H7NO2S.ClH/c1-9-6(8)4-2-10-3-5(4)7;/h2-3H,7H2,1H3;1H
InChIKey: JGIRDDQLZLXRKQ-UHFFFAOYSA-N
SMILES: C1(C(=O)OC)=CSC=C1N.Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H315 (85.7%): 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (85.7%)

안전 데이터

HS 번호: 2934999090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도Methyl 3-aminothiophene-4-carboxylate hydrochloride is used in the preparation of ethyl (4-methoxycarbonyl)thiophene-3-carbamate by reacting with carbonochloridic acid ethyl ester.