Basic information
- CAS
893442-52-9- Standard SMILES
ClCCOc1ccc2sccc2c1- InChIKey
AUAGGWAAFNBUDI-UHFFFAOYSA-N- Molecular formula
- C10H9ClOS
- Average molar mass
- 212.7 g/mol
- Monoisotopic mass
- 212.0062638
Names & identifiers
- Preferred name
- 5-(2-Chloroethoxy)-1-benzothiophene
- IUPAC
- 5-(2-chloroethoxy)-1-benzothiophene
Names & synonyms
893442-52-95-(2-chloroethoxy)-1-benzothiopheneRefChem:529355999-065-45-(2-chloroethoxy)benzo[b]thiopheneSCHEMBL2988516AUAGGWAAFNBUDI-UHFFFAOYSA-NDA-01408
Database identifiers
- CAS
893442-52-9- PubChem CID
- 57428880
- EC Number
- 999-065-4
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
7 records
Compound notes
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