Basic information
- CAS
78-87-5- Standard SMILES
C[C@@H](Cl)CCl- InChIKey
KNKRKFALVUDBJE-GSVOUGTGSA-N- Molecular formula
- C3H6Cl2
- Average molar mass
- 112.98 g/mol
- Monoisotopic mass
- 111.9846556
Overview
(R)-1,2-dichloropropane is a 1,2-dichloropropane that has R configuration. It is an enantiomer of a (S)-1,2-dichloropropane.
Names & identifiers
- Preferred name
- 1,2-Dichloro-Propane
- IUPAC
- (2R)-1,2-dichloropropane
- English name
- 1,2-Dichloropropane
- Molecular formula
- C3H6Cl2
- Molecular weight
- 112.99
Names & synonyms
1,2-DICHLORO-PROPANERefChem:411599(2R)-1,2-dichloropropane(R)-1,2-DichloropropaneCP2(R)-propylene dichloride(2R)-dichloro-1,2 propaneSCHEMBL997893(R)-alpha,beta-dichloropropaneCHEMBL373466(A+/-)-1,2-dichloro-propaneCHEBI:142469
Show more names
DichloropropanePROPYLENE DICHLORIDE1,2-DCP1,2-DichlorpropanDichloropropanesR270daent15,406ENT 15,406NCI-C55141CH3CHClCH2Cl
(R)-1,2-DCP(R)-alpha,beta-propylene dichlorideAKOS006386185DB01701PD008488
Database identifiers
- CAS
78-87-5- PubChem CID
- 445768
- ChEMBL
CHEMBL373466- ChEBI
CHEBI:142469- Nikkaji
- J1.456.259A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 20.9
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- 100 °C · −100 °C (−148 °F; 173 K)
- Boiling point
- 95 to · 95 to 96 °C (203 to 205 °F; 368 to 369 K)
- Density
- 1.156 g/cm3 · 1.156 g/cm3
- vapor density
- 3.89 · 3.89 (vs air)
- vapor pressure
- 40 mm · 40 mm Hg ( 19.4 °C)
- refractive index
- 1.44 · 1.44
- Flash point
- 16 °C · 16 °C (61 °F; 289 K)
- storage temp.
- Refrigerator
- solubility
- Miscible with organic solvents (U.S. EPA, 1985).
- form
- liquid
- color
- Colorless
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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- IDLA
- 400 ppm
- tsca
- TSCA listed
- rtecs
- TX9625000
- ridadr
- UN 1279
- hs_code
- 29031990
- Toxicity
- LD50 orally in rats: 1.19 ml/kg (Smyth)
- risk_code
- 11-20/22-39/23/24/25-23/24/25-23/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,Xn,T
- safety_code
- 16-24-45-36/37-7
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H302+H332-H315-H319-H361-H370-H372-H373-H317-H350-H335-H336-H412-H225
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 4 OralCarc. 1BFlam. Liq. 2
- Autoignition Temperature
- 1035 °F
- Precautionary statements
- P501-P273-P272-P270-P202-P240-P260-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P308+P311-P362+P364-P303+P361+P353-P333+P313-P301+P312+P330-P304+P340+P312-P403+P233-P403+P235-P405
Chemistry & industry
Applications
DescriptionDichloropropane is a colorless stable liquid.Sweet, chloroform-like odor. The odor threshold in air is0.25 ppm. Molecular weight=112.99; Specific gravity(H2O:1)=1.16; Boiling point=96℃; Freezing/Meltingpoint=-100℃; Vapor pressure=40 mmHg at 20℃;Flash point=16℃ (cc); Autoignition temperature=557℃.Explosive limits: LEL=3.4%; UEL=14.5%. HazardIdentification (based on NFPA-704 M Rating System):Health 2, Flammability 3, Reactivity 0. Very slightly soluble in water; solubility=0.3% at 20℃.
Uses1,2-Dichloropropane is used as a soil fumigant, often as a mixture with 1,3-dichloropropene to control nematodes and soil pests.
UsesSoil fumigant for nematodes.
Uses1,2-Dichloropropane is a byproduct in the production of epichlorohydrin (E582310), an important industrial chemical, is a bifunctional alkylating agent with the potential to form DNA cross-links.
UsesSolvent for oils, fats, resins, waxes, rubber; in ion exchange manufacture; in photographic film production; paper coating; petroleum catalyst regeneration. Has been used as a soil fumigant.
General DescriptionColorless watery liquid with a sweet odor. Sinks in water. Produces an irritating vapor.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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