2'-Cyano-4-bromomethylbiphenyl

• CAS: 114772-54-2
• Catalog Number: ACM114772542
• Category: Bromine Series
• Molecular Weight: 272.14
• Molecular Formula: C₁₄H₁₀BrN
• Synonyms: 4-BROMOMETHYLBIPHENYL-2-CARBONITRILE;4-BROMOMETHYL-2-BIPHENYLCARBONITRILE;4-BROMOMETHYL-2-CYANOBIPHENYL;[1,1-BIPHENYL]-2-CARBONITRILE, 4-(BROMOMETHYL)-;2-CYANO-4-BROMOMETHYL BIPHENYL;2-CYANO-4-BROMOMETHYLBIPHENYL;2-(4-BROMO-METHYLPHENYL) BENZONITRILE;OTBN
• IUPAC Name: 2-[4-(bromomethyl)phenyl]benzonitrile
• Canonical SMILES: C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CBr
• InChI Key: LFFIEVAMVPCZNA-UHFFFAOYSA-N
• Boiling Point: 413.2ºC at 760 mmHg
• Melting Point: 125-128ºC
• Flash Point: 203.7ºC
• Density: 1.43g/cm³
• Appearance: Cream powder
• EC Number: 601-327-7
• Exact Mass: 271.00000
• Hazard Statements: Xn:Harmful
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Safety Description: S26-S36/37/39
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2'-Cyano-4-bromomethylbiphenyl?

The molecular formula is C8H4ClNO.

What is the molecular weight of 2'-Cyano-4-bromomethylbiphenyl?

The molecular weight is 165.57 g/mol.

What is the IUPAC name of 2'-Cyano-4-bromomethylbiphenyl?

The IUPAC name is 2-chlorobenzoyl cyanide.

What is the InChI of 2'-Cyano-4-bromomethylbiphenyl?

The InChI is InChI=1S/C8H4ClNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4H.

What is the InChIKey of 2'-Cyano-4-bromomethylbiphenyl?

The InChIKey is YUCRNASRVPZKNQ-UHFFFAOYSA-N.

What is the canonical SMILES of 2'-Cyano-4-bromomethylbiphenyl?

The canonical SMILES is C1=CC=C(C(=C1)C(=O)C#N)Cl.

What is the CAS number of 2'-Cyano-4-bromomethylbiphenyl?

The CAS number is 35022-42-5.

What is the XLogP3 value of 2'-Cyano-4-bromomethylbiphenyl?

The XLogP3 value is 2.1.

What is the hydrogen bond donor count of 2'-Cyano-4-bromomethylbiphenyl?

The hydrogen bond donor count is 0.

Is 2'-Cyano-4-bromomethylbiphenyl a canonicalized compound?

Yes, 2'-Cyano-4-bromomethylbiphenyl is a canonicalized compound.