3-Bromostyrene

• Catalog Number: ACM2039863-4
• Product Name: 3-Bromostyrene
• CAS: 2039-86-3
• Category: Bromine Series
• Synonyms: 1-Bromo-3-vinylbenzene, 1-Bromo-3-ethenylbenzene
• IUPAC Name: 1-Bromo-3-ethenylbenzene
• Molecular Weight: 183.05
• Molecular Formula: H2C=CHC6H4Br
• Canonical SMILES: Brc1cccc(C=C)c1
• 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 (lit.)
• Flash Point: 154 °F
• Density: 1.406 g/mL at 25 °C (lit.)
• Application: This product is suitable for scientific research.
• Assay: 97%
• Complexity: 98.7
• Contains: 0.1% 3,5-di-tert-butylcatechol as inhibitor
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 218-025-2
• Exact Mass: 181.97311
• Features And Benefits: 1. High quality products; 2. Fast delivery; 3. Additional products can be ordered, please contact us for details
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• MDL Number: MFCD00000088
• Monoisotopic Mass: 181.97311
• NACRES: NA.23
• Physical State: Liquid
• PubChem ID: 24848065
• Quality Level: 100
• Refractive Index: n20/D 1.591 (lit.)
• Rotatable Bond Count: 1
• Storage Temperature: 2-8°C
• Topological Polar Surface Area: 0 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• UNII: 6XE3SF241Y
• XLogP3: 3.4

Custom Q&A

What is the PubChem CID of 3-Bromostyrene?

The PubChem CID of 3-Bromostyrene is 74870.

What is the molecular formula of 3-Bromostyrene?

The molecular formula of 3-Bromostyrene is C8H7Br.

What is the molecular weight of 3-Bromostyrene?

The molecular weight of 3-Bromostyrene is 183.04 g/mol.

What is the IUPAC name of 3-Bromostyrene?

The IUPAC name of 3-Bromostyrene is 1-bromo-3-ethenylbenzene.

What is the InChI key of 3-Bromostyrene?

The InChI key of 3-Bromostyrene is KQJQPCJDKBKSLV-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromostyrene?

The canonical SMILES of 3-Bromostyrene is C=CC1=CC(=CC=C1)Br.

What is the CAS number of 3-Bromostyrene?

The CAS number of 3-Bromostyrene is 2039-86-3.

What is the XLogP3-AA value of 3-Bromostyrene?

The XLogP3-AA value of 3-Bromostyrene is 3.4.

How many rotatable bonds are there in 3-Bromostyrene?

There is 1 rotatable bond in 3-Bromostyrene.

Is 3-Bromostyrene a canonicalized compound?

Yes, 3-Bromostyrene is a canonicalized compound according to PubChem.