4,5-Dibromothiophene-3-carboxylic acid
Basic information
- CAS
101079-66-7- Standard SMILES
O=C(O)c1csc(Br)c1Br- InChIKey
ARYZJCDPKDFHPT-UHFFFAOYSA-N- Molecular formula
- C5H2Br2O2S
- Average molar mass
- 285.94 g/mol
- Monoisotopic mass
- 283.81423
Names & identifiers
- Preferred name
- 4,5-Dibromothiophene-3-carboxylic acid
- IUPAC
- 4,5-dibromothiophene-3-carboxylic acid
- English name
- 4,5-dibroMothiophene-3-carboxylic acid
- Molecular formula
- C5H2Br2O2S
- Molecular weight
- 285.94
Names & synonyms
4,5-dibromothiophene-3-carboxylic acid101079-66-7RefChem:507639823-324-13-Thiophenecarboxylic acid, 4,5-dibromo-4,5-dibromothiophene-3-carboxylicacid4,5-Dibromo-thiophene-3-carboxylic acidMLS000027034SCHEMBL4584288CHEMBL1587370HMS1677C07HMS2172J06
Show more names
HMS3322A21BEA07966MFCD01006724STK373640AKOS0005074664,5-dibromo-3-thiophenecarboxylic acidSMR000008990DB-252915
Database identifiers
- CAS
101079-66-7- PubChem CID
- 647650
- ChEMBL
CHEMBL1587370- EC Number
- 823-324-1
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 192 · 192-194 °C(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 359.3 · 359.3±42.0 °C(Predicted)
- Density
- 2.309 · 2.309±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.36 · 3.36±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-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-H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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