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
Canonical 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.
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].

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
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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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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