3,4-Dibromothiophene-2-carboxylic acid
Basic information
- CAS
7311-66-2- Standard SMILES
O=C(O)c1scc(Br)c1Br- InChIKey
VMFBMYZXQCTXAV-UHFFFAOYSA-N- Molecular formula
- C5H2Br2O2S
- Average molar mass
- 285.94 g/mol
- Monoisotopic mass
- 283.81423
Names & identifiers
- Preferred name
- 3,4-Dibromothiophene-2-carboxylic acid
- IUPAC
- 3,4-dibromothiophene-2-carboxylic acid
- English name
- 3,4-DibroMothiophene-2-carboxylic acid
- Molecular formula
- C5H2Br2O2S
- Molecular weight
- 285.94
Names & synonyms
3,4-Dibromothiophene-2-carboxylic acid7311-66-2RefChem:485862842-155-4MFCD010067533,4-bis(bromanyl)thiophene-2-carboxylic acidSCHEMBL4584130VMFBMYZXQCTXAV-UHFFFAOYSA-NHAA311663,4-Dibromothiophene-2-carboxylicacidAKOS0005073093,4-dibromo-2-thiophene carboxylic acid
Show more names
2-Thiophenecarboxylic acid, 3,4-dibromo-
BS-293843,4-Dibromo-2-thiophenecarboxylic acid #CS-0207335ST50871629EN300-312539H75561F6362688N8
Database identifiers
- CAS
7311-66-2- PubChem CID
- 625409
- EC Number
- 842-155-4
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
- 198 °C · 198 °C
- Boiling point
- 363.7 · 363.7±42.0 °C(Predicted)
- Density
- 2.309 · 2.309±0.06 g/cm3(Predicted)
- pka
- 3.08 · 3.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H312-H335-H332-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-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, P317, 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
- H319-H315-H312-H335-H332-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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