1,2-Dichloropentane
Basic information
- CAS
1674-33-5- Standard SMILES
CCCC(Cl)CCl- InChIKey
PPLBPDUKNRCHGG-UHFFFAOYSA-N- Molecular formula
- C5H10Cl2
- Average molar mass
- 141.04 g/mol
- Monoisotopic mass
- 140.0159557
Names & identifiers
- Preferred name
- 1,2-Dichloropentane
- IUPAC
- 1,2-dichloropentane
- English name
- 1,3-DICHLORO-2,2-DIMETHYLPROPANE
- Molecular formula
- C5H10Cl2
- Molecular weight
- 141.04
Names & synonyms
1,2-DICHLOROPENTANE1674-33-5RefChem:71869605-481-6PPLBPDUKNRCHGG-UHFFFAOYSA-NPentane, 1,2-dichloro-SCHEMBL788681SCHEMBL2877159SCHEMBL6420321SCHEMBL7869353SCHEMBL8381944DTXSID40870901
Show more names
DICHLOROPENTANEAMYLENE DICHLORIDEpentane,1,2-dichloro-1,3-DICHLORONEOPENTANE1,3-NEOPENTYLENE DICHLORIDE1,3-DICHLORO-2,2-DIMETHYLPROPANE
AKOS006273767DB-043698EN300-113919G57622
Database identifiers
- CAS
1674-33-5- PubChem CID
- 15481
- DTXSID
DTXSID40870901- EC Number
- 605-481-6
- Nikkaji
- J46.506B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 37.1
Physicochemical properties
- Melting point
- -75.05 °C · -75.05°C (estimate)
- Boiling point
- 148.25 °C · 148.25°C
- Density
- 1.0735 · 1.0735
- refractive index
- 1.4448 · 1.4448
- Henry's Law Constant
- 4.8 · 4.8×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2005)
- CAS DataBase Reference
- 1674 · 1674-33-5(CAS DataBase Reference)
- FDA UNII
- 26110 Z568S · 26110Z568S
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H302-H335-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
- RIDADR
- 1152 · UN 1152 (DICHLOROPENTANES)
- HazardClass
- 3 · 3
- PackingGroup
- III
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- UN 1152 (DICHLOROPENTANES)
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS05
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H302-H335-H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses1,2-Dichloropentane is a useful research chemical compound used in the site-selective aliphatic C-H chlorination using N-chloroamides to enable the synthesis of chlorolissoclimide which exhibits anticancer activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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