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B1334

Benzaldehyde

≥99%, liquid, ReagentPlus®

Synonyme(s) :

Huile essentielle artificielle d’amandes

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A propos de cet article

Formule linéaire :
C6H5CHO
Numéro CAS:
100-52-7
Poids moléculaire :
106.12
NACRES:
NA.21
PubChem Substance ID:
57653918
eCl@ss:
39023701
UNSPSC Code:
12352100
EC Number:
202-860-4
MDL number:
MFCD00003299
Beilstein/REAXYS Number:
471223
Assay:
≥99%
Form:
liquid
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Nom du produit

Benzaldehyde, ReagentPlus®, ≥99%

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

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

Analysis Note

Chlorine-free

Legal Information

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

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Danger

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

Classe de stockage

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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificats d'analyse (COA)

Lot/Batch Number
BCCP2135
MKCZ3518
SDBB3127
MKCV7776
SDBB0503

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Consulter la Bibliothèque de documents

Hydrogenation of benzaldehyde over palladium intercalated bentonite catalysts: Kinetic studies.
Divakar D, et al.
Catalysis Letters, 125(3-4), 277-282 (2008)
N-Heterocyclic Carbene-Catalyzed Oxidative Amidation of Aldehydes with Amines.
Alanthadka A and Maheswari CU.
Advanced Synthesis & Catalysis, 357(6), 1199-1203 (2015)
Experimental and theoretical studies on the hydrogen-bond-promoted enantioselective hetero-Diels-alder reaction of Danishefsky's diene with benzaldehyde.
Zhang X, et al.
The Journal of Organic Chemistry, 71(7), 2862-2869 (2006)
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