3-Bromo-4-hydroxybenzonitrile

CAS
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Purity
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CAS
2315-86-8
Size
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Purity
98%+
Price
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Availability
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Quantity
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Catalog Number

ACM2315868

Product Name

3-Bromo-4-hydroxybenzonitrile

Structure

Structure

CAS

2315-86-8

Category

Bromine Series

Synonyms

Benzonitrile, 3-broMo-4-hydroxy-

IUPAC Name

3-bromo-4-hydroxybenzonitrile

Molecular Weight

198.02

Molecular Formula

C7H4BrNO

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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.

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