4-Formyl-2-methoxyphenyl thiophene-2-carboxylate
Basic information
- CAS
361472-61-9- Standard SMILES
COc1cc(C=O)ccc1OC(=O)c1cccs1- InChIKey
ZOLFWKYWRIZFDP-UHFFFAOYSA-N- Molecular formula
- C13H10O4S
- Average molar mass
- 262.28 g/mol
- Monoisotopic mass
- 262.02997997
Names & identifiers
- Preferred name
- 4-Formyl-2-methoxyphenyl thiophene-2-carboxylate
- IUPAC
- (4-formyl-2-methoxyphenyl) thiophene-2-carboxylate
- English name
- 4-Formyl-2-methoxyphenyl thiophene-2-carboxylate
- Molecular formula
- C13H10O4S
- Molecular weight
- 262.28
Names & synonyms
4-formyl-2-methoxyphenyl thiophene-2-carboxylate361472-61-9DTXSID00354590RefChem:292953DTXCID70305650(4-formyl-2-methoxyphenyl) thiophene-2-carboxylateMFCD01590273ZINC2667874-Formyl-2-methoxyphenyl-2-thiophene carboxylate2-Thiophenecarboxylic acid, 4-formyl-2-methoxyphenyl esterSCHEMBL13079903ZOLFWKYWRIZFDP-UHFFFAOYSA-N
Show more names
AKOS B014278AKOS BC-1661ART-CHEM-BB B014278TIMTEC-BB SBB0070534-FORMYL-2-METHOXYPHENYL 2-THIOPHENECARBOXYLATE(4-methanoyl-2-methoxy-phenyl) thiophene-2-carboxylate2-thiophenecarboxylic acid (4-formyl-2-methoxyphenyl) esterTHIOPHENE-2-CARBOXYLIC ACID 4-FORMYL-2-METHOXY-PHENYL ESTER
COc1cc(C=O)ccc1OC(=O)c1cccs1ALBB-001410BBL015518SBB007053STK033468ZINC002667874FORMYL2METHOXYPHENYL2THIOPHENEAKOS000115322
Database identifiers
- CAS
361472-61-9- PubChem CID
- 776772
- DTXSID
DTXSID00354590- EC Number
- 984-955-7
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Boiling point
- 471.7 · 471.7±40.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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