Basic information
- CAS
16686-11-6- Standard SMILES
ClCCCC1OCCO1- InChIKey
ZBPUNVFDQXYNDY-UHFFFAOYSA-N- Molecular formula
- C6H11ClO2
- Average molar mass
- 150.6 g/mol
- Monoisotopic mass
- 150.04475727
Names & identifiers
- Preferred name
- 2-(3-Chloropropyl)-1,3-dioxolane
- IUPAC
- 2-(3-chloropropyl)-1,3-dioxolane
- English name
- 2-(3-Chloropropyl)-1,3-dioxolane
- Molecular formula
- C6H11ClO2
- Molecular weight
- 150.6
Names & synonyms
2-(3-Chloropropyl)-1,3-dioxolane16686-11-6DTXSID80338934RefChem:251501DTXCID10290016ZBPUNVFDQXYNDY-UHFFFAOYSA-N4-Chlorobutyraldehyde ethylene acetalMFCD000431352-(3-Chloro-propyl)-[1,3]dioxolane2-(3-chloropropyl)-dioxolanSCHEMBL1238908TD8141
Show more names
1,3-Dioxolane,2-(3-chloropropyl)-3-Chloro-1-(1,3-dioxolan-2-yl)propane2-(3-Chloropropyl)-1,3-dioxolane ,97%2-(3-Chlorobutyraldehyde ethylene acetal
2-(3-chloro-propyl)-[1,3]-dioxolane2-(3-Chloropropyl)-1,3-dioxolane, >=97.0% (GC)1,3-Dioxolane, 2-(3-chloropropyl)-2-(3-ChloroAM200804763-chloropropyl-1,3-dioxolaneorb31762982(chloropropyl)-1,3-dioxolane
Database identifiers
- CAS
16686-11-6- PubChem CID
- 552072
- DTXSID
DTXSID80338934- Nikkaji
- J1.139.144C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 71.5
Physicochemical properties
- Melting point
- 80 ℃ · 80℃
- Boiling point
- 93 · 93-94 °C/12 mmHg (lit.)
- Density
- 1.142 g/mL · 1.142 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.453
- Flash point
- 79 °C · 79 °C
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- clear liquid
- color
- Colorless to Brown
- BRN
- 1236588 · 1236588
- InChI
- 1S/C6H11ClO2/c7-3-1-2-6-8-4-5-9-6/h6H,1-5H2
- InChIKey
- ZBPUNVFDQXYNDY-UHFFFAOYSA-N
- SMILES
- ClCCCC1OCCO1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29329990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 23-24/25-36-26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P403+P235-P501
Chemistry & industry
Applications
Uses2-(3-Chloropropyl)-1,3-dioxolane (2-(3′-chloropropyl)-1,3-dioxolane) is a masked γ-chlorobutyraldehyde and was used for the introduction of 3-(1,3-dioxolan-2-yl)propyl moiety. It was also used in the synthesis of:(±)-histrionicotoxin and (±)-histrionicotoxin 235A using a two-directional strategy4-iodobutyraldehyde, 5-iodovaleraldehyde and 5-iodo-2-petanonecorresponding phosphonate
Upstream & downstream products
Upstream raw materials
Related reactions
26 records
Compound notes
Loading…