Basic information
- CAS
4028-56-2- Standard SMILES
CC(Cl)C(C)Cl- InChIKey
RMISVOPUIFJTEO-UHFFFAOYSA-N- Molecular formula
- C4H8Cl2
- Average molar mass
- 127.01 g/mol
- Monoisotopic mass
- 126.0003056
Names & identifiers
- Preferred name
- 2,3-Dichlorobutane
- IUPAC
- 2,3-dichlorobutane
- English name
- 2,3-Dichlorobutane
- Molecular formula
- C4H8Cl2
- Molecular weight
- 127.01
Names & synonyms
2,3-DICHLOROBUTANE7581-97-7Butane, 2,3-dichloro-DTXSID8021565EINECS 231-486-4DTXCID901565Butane, 2,3dichloroRefChem:442059231-486-4InChI=1/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2Hmeso-2,3-Dichlorobutane23-dichlorobutane
Show more names
RMA-165synthesis-013synthesis-6-0012,3-Dichlorbutan2,3-dichloro-butanButane,2,3-dichloro-2,3-Dichlorobutane >2,3-Dichlorobutane,98%2,3-Dichlorobutane- dl + meso
Butane, 2,3-dichloro-, meso-2,3-Dichlorobutane #MFCD00000866Butane, 2,3-dichloro-, (R*,S*)-Tox21_200667AKOS0252957214028-56-2NCGC00258221-01
Database identifiers
- CAS
4028-56-2、7581-97-7- PubChem CID
- 24233
- DTXSID
DTXSID8021565- ChEMBL
CHEMBL346986- EC Number
- 231-486-4
- Nikkaji
- J87.948G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 30.5
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
Vapor Pressure24.4 [mmHg]
Physical DescriptionColorless liquid with an odor like chloroform; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 80 °C · −80 °C(lit.)
- Boiling point
- 117 · 117-119 °C(lit.)
- Density
- 1.107 g/mL · 1.107 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.442(lit.)
- Flash point
- 65 °F · 65 °F
- storage temp.
- Flammables area
- Water Solubility
- 561.7 mg/L · 561.7mg/L(20 ºC)
- Henry's Law Constant
- 1.4 · 1.4×10-3 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
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]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Butane, 2,3-dichloro-
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See 1,2-Dichlorobutane.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29031980
- risk_code
- 11-22-43
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_code
- F,Xn
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButane, 2,3-dichloro-: ACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…