3-Bromostyrene
Product Information
Molecular Formula
C8H7Br
Molecular Weight
183.04
Description
3-Bromostyrene, a highly valued chemical compound in the biomedicine sector, plays a pivotal role as an essential intermediary in the fabrication of diverse pharmaceutical therapeutics encompassing antiretroviral agents and anticancer treatments. Its incredible versatility extends to combatting viral afflictions like HIV and a multitude of cancer varieties.
Synonyms
3-BROMOSTYRENE; M-BROMOSTYRENE; 1-bromo-3-ethenylbenzene; 1-Bromo-3-vinylbenzene; Benzene, 1-bromo-3-ethenyl-; 3-BROMOSTYRENE 97%
IUPAC Name
1-bromo-3-ethenylbenzene
SMILES
C=CC1=CC(=CC=C1)Br
InChI
InChI=1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InChI Key
KQJQPCJDKBKSLV-UHFFFAOYSA-N
Boiling Point
74-75°C (3 mmHg)
Flash Point
67 °C
Purity
95%
Density
1.406
Appearance
clear colorless to yellow liquid
Storage
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Refrigerator (approx 4°C).
Refractive Index
n20/D 1.591 (lit.)
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
3.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
181.97311 g/mol
Monoisotopic Mass
181.97311 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
98.7
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113956384-A | Preparation method of efficient flame-retardant polystyrene resin | 2021-11-12 |
| CN-113880873-A | Hydroboration reaction method for catalyzing olefin by calcium halide | 2021-10-25 |
| CN-113603719-A | Difluoroalkyl substituted sulfur phosphate compound and preparation method thereof | 2021-08-16 |
| CN-113582915-A | Synthesis method of 4-substituted pyridine compound | 2021-07-25 |
| CN-113548936-A | Aroyldifluoromethyl olefin and preparation method thereof | 2021-07-13 |
| CN-113416205-A | Preparation method of aryl borate promoted by cesium pivalate | 2021-06-21 |
| KR-102313853-B1 | Adhesive composition and packaging material for battery | 2021-02-26 |
| KR-102336272-B1 | Adhesive composition and packaging material for battery | 2021-02-19 |
| CN-112920310-A | Method for improving luminous efficiency of cluster luminous polymer and cluster luminous polymer | 2021-01-27 |
| CN-112662638-A | Function of novel R-selective styrene monooxygenase | 2021-01-18 |
