3-Bromo-4-hydroxybenzonitrile

• CAS: 2315-86-8
• Catalog Number: ACM2315868
• Category: Bromine Series
• Molecular Weight: 198.02
• Molecular Formula: C7H4BrNO
• Synonyms: Benzonitrile, 3-broMo-4-hydroxy-
• IUPAC Name: 3-bromo-4-hydroxybenzonitrile
• Canonical SMILES: C1=CC(=C(C=C1C#N)Br)O
• InChI: InChI=1S/C7H4BrNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H
• InChI Key: HLHNOIAOWQFNGW-UHFFFAOYSA-N
• Boiling Point: 271.1±25.0 °C
• Melting Point: 155-159 °C (lit.)
• Flash Point: 117.8ºC
• Density: 1.79±0.1 g/ml
• Appearance: brown crystals or needles
• EC Number: 219-022-9
• Exact Mass: 196.94800
• Hazard Statements: Xn:Harmful
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Packing Group: III
• Safety Description: S36/37
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Bromo-4-hydroxybenzonitrile?

The molecular formula of 3-Bromo-4-hydroxybenzonitrile is C7H4BrNO.

What is the molecular weight of 3-Bromo-4-hydroxybenzonitrile?

The molecular weight of 3-Bromo-4-hydroxybenzonitrile is 198.02 g/mol.

What is the IUPAC name of 3-Bromo-4-hydroxybenzonitrile?

The IUPAC name of 3-Bromo-4-hydroxybenzonitrile is 3-bromo-4-hydroxybenzonitrile.

What is the InChI key of 3-Bromo-4-hydroxybenzonitrile?

The InChI key of 3-Bromo-4-hydroxybenzonitrile is HLHNOIAOWQFNGW-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Bromo-4-hydroxybenzonitrile?

The canonical SMILES of 3-Bromo-4-hydroxybenzonitrile is C1=CC(=C(C=C1C#N)Br)O.

What is the CAS number of 3-Bromo-4-hydroxybenzonitrile?

The CAS number of 3-Bromo-4-hydroxybenzonitrile is 2315-86-8.

What is the European Community (EC) number of 3-Bromo-4-hydroxybenzonitrile?

The European Community (EC) number of 3-Bromo-4-hydroxybenzonitrile is 219-022-9.

What is the DSSTox Substance ID of 3-Bromo-4-hydroxybenzonitrile?

The DSSTox Substance ID of 3-Bromo-4-hydroxybenzonitrile is DTXSID90177735.

What is the XLogP3 value of 3-Bromo-4-hydroxybenzonitrile?

The XLogP3 value of 3-Bromo-4-hydroxybenzonitrile is 2.2.

Is 3-Bromo-4-hydroxybenzonitrile a canonicalized compound?

Yes, 3-Bromo-4-hydroxybenzonitrile is a canonicalized compound.