Basic information
- CAS
30432-16-7- Standard SMILES
BrCC(CBr)=C(CBr)CBr- InChIKey
GJZKNORRVIUCCH-UHFFFAOYSA-N- Molecular formula
- C6H8Br4
- Average molar mass
- 399.74 g/mol
- Monoisotopic mass
- 395.73594866
Names & identifiers
- Preferred name
- 1,4-Dibromo-2,3-bis(bromomethyl)-2-butene
- IUPAC
- 1,4-dibromo-2,3-bis(bromomethyl)but-2-ene
- English name
- 1,4-Dibromo-2,3-bis(bromomethyl)-2-butene
- Molecular formula
- C6H8Br4
- Molecular weight
- 399.74
Names & synonyms
1,4-Dibromo-2,3-bis(bromomethyl)-2-butene2-BUTENE, 2,3-BIS(BROMOMETHYL)-1,4-DIBROMO-BRN 16343792,3-Bis-(bromomethyl)-1,4-dibromo-2-butene2,3-Bis (bromomethyl)-1,4-dibromo-2-butene2,3-di(Bromomethyl)-1,4-dibrom butene-2DTXSID201845184-01-00-00857 (Beilstein Handbook Reference)RefChem:220411DTXCID60107009622-436-6GJZKNORRVIUCCH-UHFFFAOYSA-N
Show more names
TIMTEC-BB SBB007706Tetra(bromomethyl)ethene1,4-dibromo-2,3-bis(bromethyl)-2-butene2,3-bis(bromomethyl)-1,4-dibromo-2-buten2,3-bis(bromomethyl)-1,4-dibromo-2-butene2-Butene,1,4-dibroMo-2,3-bis(broMoMethyl)-
30432-16-71,4-dibromo-2,3-bis(bromomethyl)but-2-eneTetrakis(bromomethyl)ethyleneC6H8Br42-Butene, 1,4-dibromo-2,3-bis(bromomethyl)-Tetrakis(bromomethyl)etheneMFCD00017889tetrakis (bromomethyl)ethylene
Database identifiers
- CAS
30432-16-7- PubChem CID
- 35343
- DTXSID
DTXSID20184518- EC Number
- 622-436-6
- Nikkaji
- J42.723C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 92.9
Physicochemical properties
- Melting point
- 158 · 158-159 °C(Solv: cyclohexane (110-82-7))
- Boiling point
- 380 ℃ · 380℃
- Density
- 2.303 · 2.303
- Flash point
- 177 ℃ · 177℃
- storage temp.
- 2 · 2-8°C
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C6H8Br4/c7-1-5(2-8)6(3-9)4-10/h1-4H2
- InChIKey
- GJZKNORRVIUCCH-UHFFFAOYSA-N
- SMILES
- C(Br)/C(/CBr)=C(\CBr)/CBr
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Description1,4-Dibromo-2,3-bis(bromomethyl)-2-butene can be used in the synthesis of a wide variety of organic compounds. It is activated with silicon and germanium to produce a reactive intermediate that can then be reacted to form substituted cyclohexanes. This compound can also be used in the synthesis of heterocycles such as hexamethylbenzene and dibenzothiophene. It is prepared by the stepwise addition of bromine to pentane.
Uses1,4-Dibromo-2,3-bis(bromomethyl)but-2-ene can be used as ubiquitin specific peptidase 9X inhibitors to treat cancer.
Upstream & downstream products
Upstream raw materials
Suppliers77 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Related reactions
5 records
Compound notes
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