Basic information
- CAS
20395-25-9- Standard SMILES
ClCCC(Cl)Cl- InChIKey
URWHLZCXYCQNSY-UHFFFAOYSA-N- Molecular formula
- C3H5Cl3
- Average molar mass
- 147.43 g/mol
- Monoisotopic mass
- 145.945683
Names & identifiers
- Preferred name
- Propane, 1,1,3-trichloro-
- IUPAC
- 1,1,3-trichloropropane
- English name
- 1,1,3-trichloropropane
- Molecular formula
- C3H5Cl3
- Molecular weight
- 147.43
Names & synonyms
20395-25-9Propane, 1,1,3-trichloro-DTXSID10174342RefChem:1096714DTXCID20968331,1,3-Trichloropropane1,1,3-trichloro-propaneSCHEMBL22732SCHEMBL6231744SCHEMBL11238242SCHEMBL27600736URWHLZCXYCQNSY-UHFFFAOYSA-N
Show more names
AKOS006385266InChI=1/C3H5Cl3/c4-2-1-3(5)6/h3H,1-2H
Database identifiers
- CAS
20395-25-9- PubChem CID
- 33157
- DTXSID
DTXSID10174342- Nikkaji
- J88.015I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 27.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -58.98 °C · -58.98°C
- Boiling point
- 145.55 °C · 145.55°C
- Density
- 1.3544 · 1.3544
- refractive index
- 1.4698 · 1.4698
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform, Ethyl Acetate
- form
- Oil
- color
- Clear Colorless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses1,1,3-Trichloropropane is a disinfection byproducts in chlorinated drinking water. Also, it is derived from Acrolein (A191200), which is used in the synthesis of acrylic acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers1 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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