3-Bromostyrene

Inquiry

Molecular Formula:

C8H7Br

Molecular Weight:

183.04

CAS Number:

2039-86-3

Catalog Number:

2039-86-3

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

181.97311 g/mol

Monoisotopic Mass

181.97311 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

98.7

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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