5-(3-Chloropropionyl)indan
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Basic information
- CAS
39105-39-0- Standard SMILES
O=C(CCCl)c1ccc2c(c1)CCC2- InChIKey
VTEOHCVWRXWJEI-UHFFFAOYSA-N- Molecular formula
- C12H13ClO
- Average molar mass
- 208.68 g/mol
- Monoisotopic mass
- 208.0654927
Names & identifiers
- Preferred name
- 5-(3-Chloropropionyl)indan
- IUPAC
- 3-chloro-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
- English name
- 3-CHLORO-1-INDAN-5-YL-PROPAN-1-ONE
- Molecular formula
- C12H13ClO
- Molecular weight
- 208.68
Names & synonyms
5-(3-Chloropropionyl)indanRefChem:529870663-088-539105-39-03-chloro-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one3-CHLORO-1-INDAN-5-YL-PROPAN-1-ONEMFCD000291383-Chloro-1-(2,3-dihydro-1H-inden-5-yl)-1-propanoneSCHEMBL5662017DTXSID10391072VTEOHCVWRXWJEI-UHFFFAOYSA-NAKOS005216906
Show more names
1872485-(β-Chloropropionyl)indan5-(3-chloropropionyl)indane1-Propanone, 3-chloro-1-(2,3-dihydro-1H-inden-5-yl)-
3-Chloro-1-(5-indanyl)-1-propanoneCS-W015191SY334976DB-262211EN300-249986W16184F7913643-Chloro-1-(23-dihydro-1H-inden-5-yl)propan-1-one
Database identifiers
- CAS
39105-39-0- PubChem CID
- 3286758
- DTXSID
DTXSID10391072- EC Number
- 663-088-5
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 62 · 62-65°C
- storage temp.
- Refrigerator
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate
- form
- Solid
- color
- Tan
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications 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
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses3-CHLORO-1-INDAN-5-YL-PROPAN-1-ONE is a useful synthetic intermediate
UsesA useful synthetic intermediate.
Related reactions
8 records
Compound notes
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