Basic information
- CAS
67318-11-0- Standard SMILES
CCOC(=O)c1ccc(N)s1- InChIKey
FDYICWNHUBQXAT-UHFFFAOYSA-N- Molecular formula
- C7H9NO2S
- Average molar mass
- 171.22 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-aminothiophene-2-carboxylate
- IUPAC
- ethyl 5-aminothiophene-2-carboxylate
- English name
- Ethyl5-aminothiophene-2-carboxylate
- Molecular formula
- C7H9NO2S
- Molecular weight
- 171.22
Names & synonyms
Ethyl 5-aminothiophene-2-carboxylate67318-11-0RefChem:595687858-688-0MFCD11901906Ethyl5-aminothiophene-2-carboxylateEthyl 5-amino-2-thiophenecarboxylateSCHEMBL5023778FDYICWNHUBQXAT-UHFFFAOYSA-FDYICWNHUBQXAT-UHFFFAOYSA-NSCA31811ethyl 5-azanylthiophene-2-carboxylate
Show more names
AKOS016359140BS-50817SY453546DB-206557EN300-789415-Amino-2-thiophenecarboxylic acid ethyl esterF745512-Thiophenecarboxylic acid, 5-amino-, ethyl ester
Database identifiers
- CAS
67318-11-0- PubChem CID
- 21585769
- EC Number
- 858-688-0
- Nikkaji
- J2.072.957K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 50 · 50-53 °C
- Boiling point
- 314.3 · 314.3±22.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 0.42 · 0.42±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C7H9NO2S/c1-2-10-7(9)5-3-4-6(8)11-5/h3-4H,2,8H2,1H3
- InChIKey
- FDYICWNHUBQXAT-UHFFFAOYSA-N
- SMILES
- C1(C(OCC)=O)SC(N)=CC=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers15 total
上海康恩博医药科技有限公司17510465506 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海任跃化学科技有限公司021-62219190; 18321139117 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
石家庄东智化工有限公司18032763683 13102890206; 18032763683;13102890206 · [email protected]
石家庄渡世生物医药科技有限公司13102890206 18032066297
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Richest Group Ltd18017061086 · [email protected]
Related reactions
4 records
Compound notes
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