B1334

Benzaldehyde

ReagentPlus^®, ≥99%

• Synonym(s): Bitter almond
• Linear Formula: C₆H₅CHO
• CAS Number: 100-52-7
• Molecular Weight: 106.12
• Beilstein: 471223
• EC Number: 202-860-4
• MDL number: MFCD00003299
• UNSPSC Code: 12352100
• eCl@ss: 39023701
• PubChem Substance ID: 57653918
• NACRES: NA.21

Properties

• vapor density: 3.7 (vs air)
• Quality Level: 200
• vapor pressure: 4 mmHg ( 45 °C)
• product line: ReagentPlus^®
• Assay: ≥99%
• form: liquid
• autoignition temp.: 374 °F
• expl. lim.: 1.4 %, 20 °F
• refractive index: n20/D 1.545 (lit.)
• pH: 5.9 (20 °C)
• bp: 178-179 °C (lit.)
• mp: −26 °C (lit.)
• density: 1.044 g/cm³ at 20 °C (lit.)
• functional group: aldehyde; phenyl
• SMILES string: O=Cc1ccccc1
• InChI: 1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
• InChI key: HUMNYLRZRPPJDN-UHFFFAOYSA-N

Description

General description

Benzaldehyde is an aromatic aldehyde. Rotational transitions in benzaldehyde have been explained based on its microwave absorption spectrum. The conversion of benzaldehyde into reduced compounds in the presence of metal oxides has been studied. SmFeO₃ (perovskite-type oxide catalyst) catalyzed cyanosilylation reaction of benzaldehyde with trimethylsilyl cyanide (TMSCN) has been reported.

Application

Benzaldehyde has been used as a standard in the quantification of Achillea ligustica essential oil by GC-MS (Gas Chromatography-Mass Spectrometry).

Benzaldehyde may be used in the following studies:

• Preparation of optically active 1-phenylpropan-1-ol.
• Synthesis of meso-tetraphenylporphins and chlorins.
• As a test compound to study oxidative amidation reaction of aliphatic primary/secondary amines using N-heterocyclic carbine as a catalyst.
• Synthesis of 2-phenyl-2,3-dihydro-4H-pyran-4-one with high enantioselectivity by hetero-Diels-Alder (HDA) reaction with Danishefsky′s diene.

Quality

Chlorine-free

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS08,GHS07,GHS09
• Signal Word: Danger
• Hazard Statements: H302 + H332,H315,H319,H335,H360Df,H411
• Precautionary Statements: P273 - P301 + P312 - P302 + P352 - P304 + P340 + P312 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Repr. 1B - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 1
• Flash Point(F): 145.4 °F - closed cup
• Flash Point(C): 63 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves