Basic information
- CAS
877140-10-8- Standard SMILES
CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1N- InChIKey
BALOEZMFLNGKMG-UHFFFAOYSA-N- Molecular formula
- C14H13NO4S
- Average molar mass
- 291.32 g/mol
- Monoisotopic mass
- 291.05652907
Names & identifiers
- Preferred name
- Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylate
- IUPAC
- ethyl 3-amino-5-(1,3-benzodioxol-5-yl)thiophene-2-carboxylate
- English name
- 2-Thiophenecarboxylic acid, 3-amino-5-(1,3-benzodioxol-5-yl)-, ethyl ester
- Molecular formula
- C14H13NO4S
- Molecular weight
- 291.32
Names & synonyms
877140-10-8Ethyl 3-amino-5-(1,3-dioxaindan-5-yl)thiophene-2-carboxylateDTXSID901181335Ethyl 3-amino-5-(1,3-benzodioxol-5-yl)-2-thiophenecarboxylateRefChem:594846DTXCID001612672966-586-3ethyl 3-amino-5-(2H-1,3-benzodioxol-5-yl)thiophene-2-carboxylateethyl 3-amino-5-(1,3-benzodioxol-5-yl)thiophene-2-carboxylateCKB14010SBB078285AKOS005137279
Show more names
2-Thiophenecarboxylic acid, 3-amino-5-(1,3-benzodioxol-5-yl)-, ethyl ester
CS-0241705EN300-23657G21645Z164671926ethyl3-amino-5-(2H-1,3-benzodioxol-5-yl)thiophene-2-carboxylateethyl 5-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-3-aminothiophene-2-carboxylate
Database identifiers
- CAS
877140-10-8- PubChem CID
- 9102277
- DTXSID
DTXSID901181335- EC Number
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 503.8 · 503.8±50.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- pka
- 1.7 · 1.70±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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