Basic information
- CAS
563-57-5- Standard SMILES
C=CC(Cl)Cl- InChIKey
VRTNIWBNFSHDEB-UHFFFAOYSA-N- Molecular formula
- C3H4Cl2
- Average molar mass
- 110.97 g/mol
- Monoisotopic mass
- 109.9690055
Overview
2,3-dichloropropene is one liquid form of dichloropropene (L893).
Names & identifiers
- Preferred name
- 3,3-Dichloropropene
- IUPAC
- 3,3-dichloroprop-1-ene
- English name
- Dichloropropene
- Molecular formula
- C3H4Cl2
- Molecular weight
- 110.97
Names & synonyms
1-Propene, 3,3-dichloro-3,3-dichloroprop-1-ene3,3-Dichloro-1-propene3,3-DICHLOROPROPENEPropene, 3,3-dichloro-UNII-RIF84XGM76RIF84XGM76DTXSID40739101,1-DICHLORO-2-PROPENERefChem:90780DTXCID8042050682-034-1
Show more names
DichloropropeneTerbinafine Impurity 8
VRTNIWBNFSHDEB-UHFFFAOYSA-N563-57-53,3-Dichloropropylene3-dichloropropene1,1-Dichloro-3-propene3,3-dichloro-prop-1-eneSCHEMBL119767SCHEMBL192552
Database identifiers
- CAS
563-57-5- PubChem CID
- 11244
- DTXSID
DTXSID4073910- UNII
- RIF84XGM76
- EC Number
- 682-034-1
- Nikkaji
- J6.508K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 31.9
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 82 °C · 82°C
- Density
- 1.175 · 1.1750
- refractive index
- 1.451 · 1.4510
- Odor
- Sweet; like chloroform.
- FDA UNII
- 84 XGM76 · RIF84XGM76
- EPA Substance Registry System
- 1 · 1-Propene, 3,3-dichloro- (563-57-5)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS02,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H341-H312-H302-H332-H318-H412-H335
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P273-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P201-P202-P281-P308+P313-P405-P501-P280-P302+P352-P312-P322-P363-P501
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Treatment
Following oral exposure, administer charcoal as a slurry. Monitor liver and kidney function; elevations may not be seen for several days. Following eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. If irritation, pain, swelling, lacrimation, or photophobia persist, the patient should be seen in a health care facility. Following dermal exposure, remove contaminated clothing and wash exposed area thoroughly with soap and water. Following inhalation, move patient to fresh air, even though initial symptoms and signs are mild; keep the victim quiet, in a semi-reclining position. Minimum physical activity limits the likehood of pulmonary edema. If victim is not breathing, clear the airway of secretions and resuscitate with positive pressure oxygen apparatus. If this is not available, use chest compression to sustain respiration. (T36, A568)
Health Effects
Ingestion of 3,3-D can lead to developed gastrointestinal distress, adult respiratory distress syndrome, hematological and hepatorenal functional impairment, acute gastrointestinal distress with pulmonary congestion and edema, central nervous depression, perhaps even in the absence of impaired oxygen uptake. Moreover, this can lead to death. Coma may occur rapidly after inhalation. Severe skin irritation with marked inflammatory response of epidermis can underlying tissues can follow dermal exposure. By any route, possible late injuries to liver, kidneys and heart (T48).
Chemistry & industry
Pharmacology
Metabolism/MetabolitesThe metabolic pathway of 3,3-Dichloropropene is unclear.
Uses & manufacturing
UsesBreathing in contaminated air; drinking contaminated water; eating contaminated food; dermal and eye exposure (L893).
Applications
DescriptionBecause of the relative lack of nematicidal activity in 1,2-dichloropropane and the desire to eliminate groundwater contamination by a compound not useful for nematode control, 1,3-D became a highly successful nematicide. Although it also has fungicidal activity and insecticidal activity against wireworms in particular, the primary use of the compound is as a nematicide. On a weight basis, 1,3-D is the sixth most abundantly used pesticide in the United States (11); 1,3-D is classified as a possible or probable human carcinogen. Commercial formulations are liquids and contain two isomers. In one series of experiments, aqueous trans-1,3-D was 60% as toxic as the cis isomer, whereas in the vapor phase, trans-1,3-D was 90% as toxic as cis-1,3-D (12). In laboratory experiments simulating field situations, the trans isomer was completely ineffective against the potato cyst nematode Globodera rostochiensis (13).
Uses3,3-Dichloro-1-propene is a pollutant found in aquatic environments.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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