Basic information
- CAS
2166566-68-1- Standard SMILES
Clc1ccc2scc(I)c2c1- InChIKey
QTWUPALVOACXGM-UHFFFAOYSA-N- Molecular formula
- C8H4ClIS
- Average molar mass
- 294.54 g/mol
- Monoisotopic mass
- 293.8767
Names & identifiers
- Preferred name
- 5-Chloro-3-iodo-1-benzothiophene
- IUPAC
- 5-chloro-3-iodo-1-benzothiophene
Names & synonyms
2166566-68-15-Chloro-3-iodo-1-benzothiopheneRefChem:534706964-495-35-Chloro-3-iodobenzo[b]thiopheneSY350606
Database identifiers
- CAS
2166566-68-1- PubChem CID
- 147948331
- EC Number
- 964-495-3
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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