Basic information
- Standard SMILES
C=C(Cl)CCl- InChIKey
FALCMQXTWHPRIH-UHFFFAOYSA-N- Molecular formula
- C3H4Cl2
- Average molar mass
- 110.97 g/mol
- Monoisotopic mass
- 109.9690055
Names & identifiers
- Preferred name
- 2,3-Dichloropropene
- IUPAC
- 2,3-dichloroprop-1-ene
- English name
- 2,3-Dichloropropene
- Molecular formula
- C3H4Cl2
- Molecular weight
- 110.97
Names & synonyms
2,3-DICHLORO-1-PROPENE2,3-Dichloropropene78-88-62,3-dichloroprop-1-ene2-Chloroallyl chloride2,3-DichloropropylenePropene, 2,3-dichloro-1-Propene, 2,3-dichloro-1,2-Dichloro-2-propenePropylene, 2,3-dichloroDTXSID6025012370TNK5I41
Show more names
nsc60520oro-1-propene2.3-Dichloro-12,3-Dichlorpropen2,3-Dichorpropene2,3-Dichorproplene
NSC-60520DTXCID605012RefChem:81589201-153-82,3-DCPMFCD000009432,?3-?Dichloro-?1-?propeneCCRIS 956
Database identifiers
- CAS
78-88-6- PubChem CID
- 6565
- DTXSID
DTXSID6025012- ChEMBL
CHEMBL156075- UNII
- 370TNK5I41
- EC Number
- 201-153-8
- Nikkaji
- J4.223D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 40
Physicochemical properties
- Melting point
- 10 °C · 10°C
- Boiling point
- 94 °C · 94 °C (lit.)
- Density
- 1.204 g/mL · 1.204 g/mL at 25 °C (lit.)
- vapor density
- 3.8 · 3.8 (vs air)
- vapor pressure
- 44 mm · 44 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.461(lit.)
- Flash point
- 50 °F · 50 °F
- storage temp.
- 2 · 2-8°C
- solubility
- 2.2 g/l · 2.2g/l
- form
- Liquid
- color
- Clear colorless to pink-brownish
- explosive limit
- 7.8 % · 7.8%
- Water Solubility
- 0.1 g/100 · <0.1 g/100 mL at 22 ºC
- BRN
- 1361491 · 1361491
- Henry's Law Constant
- 2.8 · 2.8×10-3 mol/(m3Pa) at 25℃, Mackay and Shiu (1981)
- InChI
- 1S/C3H4Cl2/c1-3(5)2-4/h1-2H2
- InChIKey
- FALCMQXTWHPRIH-UHFFFAOYSA-N
- SMILES
- ClCC(Cl)=C
- CAS DataBase Reference
- 78 · 78-88-6(CAS DataBase Reference)
- EWG's Food Scores
- 3 · 3
- FDA UNII
- 370 TNK5I41 · 370TNK5I41
- NIST Chemistry Reference
- 2 · 2,3-Dichloropropene(78-88-6)
- EPA Substance Registry System
- 2 · 2,3-Dichloropropene (78-88-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H315-H318-H341-H335-H412-H225
- Precautionary statements
- 501 · P501-P273-P270-P202-P240-P261-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P308+P313-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P304+P340+P312-P305+P351+P338+P310-P403+P233-P403+P235-P405
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xn,Xi
- Risk Statements
- 11 · 11-20/21/22-37/38-41-52/53-68-40
- Safety Statements
- 9 · 9-16-23-26-36/37/39-61
- RIDADR
- 2047 · UN 2047 3/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 8400000 · UC8400000
- Hazard Note
- Irritant/Highly Flammable
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29032900 · 29032900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Muta. 2Skin Irrit. 2STOT SE 3
- Hazardous Substances Data
- 78 · 78-88-6(Hazardous Substances Data)
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UC8400000
- ridadr
- UN 2047 3/PG 2
- hs_code
- 29032900
- risk_code
- 11-20/21/22-37/38-41-52/53-68-40
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07,GHS08
- hazard_code
- F,Xn,Xi
- hazard_note
- Irritant/Highly Flammable
- safety_code
- 9-16-23-26-36/37/39-61
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H318-H341-H335-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. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Muta. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P501-P273-P270-P202-P240-P261-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P308+P313-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P304+P340+P312-P305+P351+P338+P310-P403+P233-P403+P235-P405
- Hazardous Substances Data
- 78-88-6(Hazardous Substances Data)
Chemistry & industry
Applications
UsesIt is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
General DescriptionColorless to yellow liquid with an odor of chloroform. Sinks in water. Produces irritating vapor.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
101 records
Linked notes
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