3-Cyclopentylpropionyl chloride
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Basic information
- CAS
104-97-2- Standard SMILES
O=C(Cl)CCC1CCCC1- InChIKey
SZQVEGOXJYTLLB-UHFFFAOYSA-N- Molecular formula
- C8H13ClO
- Average molar mass
- 160.64 g/mol
- Monoisotopic mass
- 160.06549272
Names & identifiers
- Preferred name
- 3-Cyclopentylpropionyl chloride
- IUPAC
- 3-cyclopentylpropanoyl chloride
- English name
- Cyclopentylpropionyl chloride
- Molecular formula
- C8H13ClO
- Molecular weight
- 160.64
Names & synonyms
104-97-23-Cyclopentylpropionyl chlorideEINECS 203-257-9DTXSID00146210RefChem:500885DTXCID8068701203-257-93-cyclopentylpropanoyl chlorideCyclopentanepropionyl chlorideCyclopentylpropionyl chloride3-cyclopentylpropionylchloride3-Cyclopentyl propionyl chloride
Show more names
SKL1200AKOS BBS-00003910Cyelopentylpropionyl chlorideCyclopentanepropanoyl-chloride-3-Cyclopentanepropionyl chlorideCyclopentanepropionyl chloride 98%
CyclopentylpropionylchloridMFCD000013913-cyclopentanpropionyl chloride3-(cyclopentyl)propanoyl chlorideAKOS005720835F2190-00233-cyclopentyl propoyl chlorideCyclopentanepropionyl Chloride (8CI); 3-Cyclopentanepropionyl Chloride; 3-Cyclopentylpropanoyl Chloride; 3-Cyclopentylpropionic Acid Chloride; Cyclopentanepropanoyl Chloride
Database identifiers
- CAS
104-97-2- PubChem CID
- 66039
- DTXSID
DTXSID00146210- EC Number
- 203-257-9
- Nikkaji
- J182.188A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 199 · 199-200 °C(lit.)
- Density
- 1.049 g/mL · 1.049 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.464(lit.)
- Flash point
- 184 °F · 184 °F
- form
- liquid
- Sensitive
- Moisture Sensitive
- BRN
- 1856952 · 1856952
- InChI
- InChI=1S/C8H13ClO/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2
- InChIKey
- SZQVEGOXJYTLLB-UHFFFAOYSA-N
- SMILES
- C1(CCC(Cl)=O)CCCC1
- CAS DataBase Reference
- 104 · 104-97-2(CAS DataBase Reference)
- NIST Chemistry Reference
- Cyclopentylpropionyl chloride(104-97-2)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 19-07-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/22527
3-Cyclopentyl propionyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 10-21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2914790090
- risk_code
- 34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45-27
- hazard_class
- 8
Chemistry & industry
Applications
UsesCyclopentanepropionyl chloride was used in the synthesis of 3-cyclopentylpropanamido)methylboronic acid.
Uses3-Cyclopentylpropionyl Chloride is an synthetic intermediate in the synthesis of new family of type 3 17β-Hydroxysteroid dehydrogenase inhibitors.
Upstream & downstream products
Downstream products
Related reactions
140 records
Compound notes
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