[email protected]
CAS 103-64-0 β-Bromostyrene (cis- and trans- mixture) molecular structure lightbox
CAS RN: 103-64-0

β-Bromostyrene (cis- and trans- mixture)

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260622 100g In stock Inquiry
Batchno.20260412 25g In stock Inquiry
Batchno.20250117 500g In stock Inquiry
Batchno.20260604 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250202 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Hebei 8-10 business days Inquiry
  • Product code: ICTB0655
  • Purity/Analytical Methods: >95.0%(GC)
GET A QUOTE

103-64-0 / 2-bromoethenylbenzene

(2-Bromovinyl)benzene | Styryl bromide | DTXSID501014586

Standard CAS: 103-64-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
103-64-0
Multi CAS
Yes
Molecular Formula
C8H7Br
Molecular Weight
183.040000
Exact Mass
181.973110
SMILES
C1=CC=C(C=C1)C=CBr
InChI
InChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H
InChIKey
YMOONIIMQBGTDU-UHFFFAOYSA-N
Synonyms
(2-Bromovinyl)benzene Styryl bromide DTXSID501014586 beta-Bromstyrol Styrene, beta-bromo-

Physical Properties

Melting Point
min, - 2 °C
Boiling Point
112 °C at 20 mm Hg
Density
1.395-1.424
Physical Description
Yellowish liquid with a strong floral odor; [Hawley] Yellow-green liquid
Appearance
Pale yellow oil. Yellowish liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
Molar refractivity
44.4
TPSA
0.0000

LogP / Solubility

WLOGP
3.05
MLOGP
2.68
XLogP3
2.9
Consensus LogP
2.88
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] Not Classified Reported as not meeting GHS hazard criteria by 16 of 16 companies. For more detailed information, please visit ECHA C&L website. H227: Combustible liquid [Warning Flammable liquids] H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501 P210, P264, P270, P280, P301+P317, P330, P370+P378, P403, and P501

Customers Also Viewed

Get In Touch

Contact Us