CAS 874-97-5

3-(Hydroxymethyl)benzonitrile

Description:

3-(Hydroxymethyl)benzonitrile, with the CAS number 874-97-5, is an organic compound characterized by the presence of a benzonitrile moiety substituted with a hydroxymethyl group at the meta position. This compound features a benzene ring, which is a six-membered carbon ring with alternating double bonds, attached to a nitrile group (-C≡N) and a hydroxymethyl group (-CH2OH). The hydroxymethyl group introduces a polar functional group, enhancing the compound's solubility in polar solvents. 3-(Hydroxymethyl)benzonitrile is typically a white to off-white solid and may exhibit moderate stability under standard conditions. It is used in various chemical syntheses and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. The presence of both the hydroxymethyl and nitrile functionalities allows for diverse reactivity, including nucleophilic substitutions and condensation reactions. Safety data should be consulted for handling, as it may pose health risks if ingested or inhaled.

Formula: C₈H₇NO

InChI: InChI=1S/C8H7NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,10H,6H2

InChI key: InChIKey=PCOFIIVWHXIDGT-UHFFFAOYSA-N

SMILES: C(#N)C1=CC(CO)=CC=C1

Synonyms:

• 3-(Hydroxymethyl)benzonitrile
• 3-Cyanobenzenemethanol
• 3-Hyroxymethylbenzonitrile
• Benzonitrile, 3-(Hydroxymethyl)-
• m-Cyanobenzyl alcohol
• m-Tolunitrile, α-hydroxy-
• 3-Cyanobenzyl alcohol

3-Cyanobenzyl Alcohol

CAS: 874-97-5

Formula: C₈H₇NO

Purity: >98.0%(GC)

Color and Shape: Colorless to Light yellow to Light orange clear liquid

Molecular weight: 133.15

Ref: 3B-C1510

3-Cyanobenzyl alcohol

CAS: 874-97-5

Formula: C₈H₇NO

Purity: 98%

Color and Shape: Solid

Molecular weight: 133.1473

Ref: IN-DA003JC7

3-(Hydroxymethyl)benzonitrile

CAS: 874-97-5

3-(Hydroxymethyl)benzonitrile

Purity: 98%

Molecular weight: 133.15g/mol

Ref: 54-OR301001

3-(Hydroxymethyl)-benzonitrile

CAS: 874-97-5

3-(Hydroxymethyl)-benzonitrile (HMBN) is a chemical compound that is used in the synthesis of escitalopram, which is an antidepressant. HMBN has a solubility of 0.1 g/100 mL in water and 0.02 g/100 mL in chloroform. It has a melting point of 158°C and an optical rotation of +101° (c=0.5, methanol). It can be crystallised from trifluoroacetic acid or ammonium salt with recrystallisation solvent such as pyridine or ethyl acetate.

Formula: C₈H₇NO

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 133.15 g/mol

Ref: 3D-FH30804

3-Cyanobenzyl alcohol

CAS: 874-97-5

Formula: C₈H₇NO

Purity: 97%

Color and Shape: Solid

Molecular weight: 133.15

Ref: 10-F208807