Basic information
- CAS
5780-13-2- Standard SMILES
C[C@H](Br)[C@@H](C)Br- InChIKey
BXXWFOGWXLJPPA-ZXZARUISSA-N- Molecular formula
- C4H8Br2
- Average molar mass
- 215.91 g/mol
- Monoisotopic mass
- 213.89928
Names & identifiers
- Preferred name
- Butane, 2,3-dibromo-, (R*,S*)-
- IUPAC
- (2R,3S)-2,3-dibromobutane
- English name
- 2,3-Dibromopentane
- Molecular formula
- C4H8Br2
- Molecular weight
- 215.91
Names & synonyms
Butane, 2,3-dibromo-, (R*,S*)-RefChem:1080249meso-2,3-Dibromobutane5780-13-2(2R,3S)-2,3-dibromobutaneerythro-2,3-Dibromobutane(R*,S*)-2,3-Dibromobutane(r,s)-2,3-dibromo-butanemeso-2,3-Dibromobutane, 98%SCHEMBL10581065Butane, 2,3-dibromo-, erythroBXXWFOGWXLJPPA-ZXZARUISSA-N
Show more names
2,3-Dibromopentanebutane,2,3-dibromo-,meso-meso-2,3-Dibromobutane 98%butane,2,3-dibromo-,(R*,S*)-
DTXSID201350579rel-(2R,3S)-2,3-Dibromobutane(2R,3S)-2,3-bis(bromanyl)butaneNSC 115796F099264
Database identifiers
- CAS
5780-13-2- PubChem CID
- 98508
- DTXSID
DTXSID201350579- EC Number
- 628-297-8
- Nikkaji
- J81.092D
Properties
Computed structural properties
- XLogP
- 2.6
- 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
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -34.5 °C · -34.5°C
- Boiling point
- 73 · 73-74 °C/47 mmHg (lit.)
- Density
- 1.767 g/mL · 1.767 g/mL at 25 °C (lit.)
- refractive index
- 20 · n 20/D 1.51 (lit.)
- Flash point
- 105 °C · 105 °C - closed cup
- form
- liquid
- Dielectric constant
- 6.24 · 6.2400000000000002
- InChI
- 1S/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3/t3-,4+
- InChIKey
- BXXWFOGWXLJPPA-ZXZARUISSA-N
- SMILES
- C[C@H](Br)[C@@H](C)Br
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 2810
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Usesmeso-2,3-Dibromobutane is suitable for use in the synthesis of haloalcohol catalyzed by haloalkane dehalogenases.
General Descriptionmeso-2,3-Dibromobutane is a dihaloalkane. It has two forms of rotational isomers, the trans and gauche isomer. The synthesis and dehalogenation reaction of meso-2,3-dibromobutane has been reported. Its IR and Raman spectra have been investigated. The NMR study of the different conformations of meso-2,3-dibromobutane have been reported.
Upstream & downstream products
Downstream products
Suppliers3 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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