Basic information
- CAS
1359838-89-3- Standard SMILES
N#Cc1c(Br)sc(C(=O)O)c1Br- InChIKey
MEPYNCXMWWANQC-UHFFFAOYSA-N- Molecular formula
- C6HBr2NO2S
- Average molar mass
- 310.95 g/mol
Names & identifiers
- Preferred name
- 3,5-Dibromo-4-cyanothiophene-2-carboxylic acid
- IUPAC
- 3,5-dibromo-4-cyanothiophene-2-carboxylic acid
Names & synonyms
3,5-dibromo-4-cyanothiophene-2-carboxylic acid1359838-89-3RefChem:486638841-141-5SCHEMBL623043MEPYNCXMWWANQC-UHFFFAOYSA-NDB-3782733,5-Dibromo-4-cyano-2-thiophenecarboxylic acid
Database identifiers
- CAS
1359838-89-3- PubChem CID
- 66747713
- EC Number
- 841-141-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 251
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%)
Related reactions
4 records
Compound notes
Loading…