Basic information
- CAS
39978-14-8- Standard SMILES
COC(=O)c1cscc1N.Cl- InChIKey
JGIRDDQLZLXRKQ-UHFFFAOYSA-N- Molecular formula
- C6H8ClNO2S
- Average molar mass
- 193.65 g/mol
- Monoisotopic mass
- 192.99642718
Names & identifiers
- Preferred name
- Methyl 4-aminothiophene-3-carboxylate Hydrochloride
- IUPAC
- methyl 4-aminothiophene-3-carboxylate;hydrochloride
- English name
- METHYL 3-AMINOTHIOPHENE-4-CARBOXYLATE HYDROCHLORIDE
- Molecular formula
- C6H8ClNO2S
- Molecular weight
- 193.65
Names & synonyms
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
Show more names
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
Properties
Computed structural properties
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 203 · 203-204°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- Powder
- color
- Brown
- Sensitive
- Hygroscopic
- 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
- CAS DataBase Reference
- 39978 · 39978-14-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (85.7%)
Safety data
- hs_code
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesMethyl 3-aminothiophene-4-carboxylate hydrochloride is used in the preparation of ethyl (4-methoxycarbonyl)thiophene-3-carbamate by reacting with carbonochloridic acid ethyl ester.
Upstream & downstream products
Downstream products
Suppliers100 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Hunan Jibang Biological Technology Co., LTD
Related reactions
22 records
Compound notes
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