4-Vinylbenzyl bromide
Basic information
- CAS
13368-25-7- Standard SMILES
C=Cc1ccc(CBr)cc1- InChIKey
VTPQLJUADNBKRM-UHFFFAOYSA-N- Molecular formula
- C9H9Br
- Average molar mass
- 197.07 g/mol
- Monoisotopic mass
- 195.98876
Names & identifiers
- Preferred name
- 4-Vinylbenzyl bromide
- IUPAC
- 1-(bromomethyl)-4-ethenylbenzene
- English name
- Benzene, 1-(bromomethyl)-4-ethenyl-
- Molecular formula
- C9H9Br
- Molecular weight
- 197.07
Names & synonyms
13368-25-74-vinylbenzyl bromideDTXSID20348714RefChem:1071726DTXCID102997861-(bromomethyl)-4-vinylbenzene1-(bromomethyl)-4-ethenylbenzene4-(Bromomethyl)styrenebenzene, 1-(bromomethyl)-4-ethenyl-4-Vinylbenzyl Bromide (stabilized with TBC)4-Vinylbenzyl Bromide (stabilized with TBC, ~90%)p-bromomethylstyrene
Show more names
1-(Bromomethyl)-4-ethenyl-benzene; p-(Bromomethyl)-styrene; 1-Bromomethyl-4-vinylbenzene; 4-(Bromomethyl)styrene; p-(Bromomethyl)styrene; p-Vinylbenzyl bromideMFCD000852904-vinyl-benzyl bromideSCHEMBL184000SCHEMBL23777832SCHEMBL237778331-(bromomethyl)-4-vinyl-benzeneVTPQLJUADNBKRM-UHFFFAOYSA-N
Database identifiers
- CAS
13368-25-7- PubChem CID
- 640269
- DTXSID
DTXSID20348714- Nikkaji
- J736.838K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 100 °C · 100 °C
- Boiling point
- 241.8 · 241.8±9.0 °C(Predicted)
- Density
- 1.36 · 1.360±0.06 g/cm3(Predicted)
- storage temp.
- Amber Vial, Refrigerator, Under inert atmosphere
- solubility
- Chloroform
- form
- Oil
- color
- Yellow
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
- HS Code
- 2903998090 · 2903998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2903998090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses4-Vinylbenzyl Bromide is a useful synthetic intermediate. It is used to synthesize oxime-containing azole derivatives with antifungal activities. It is also used to prepare photo-resist polymers.
Related reactions
5 records
Compound notes
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