8.01756

Benzaldehyde

for synthesis

• Synonym(s): Benzaldehyde, Bitter almond oil
• Empirical Formula (Hill Notation): C₇H₆O
• CAS Number: 100-52-7
• Molecular Weight: 106.12
• MDL number: MFCD00003299
• UNSPSC Code: 12352114
• EC Index Number: 202-860-4
• NACRES: NA.22
• Grade: for synthesis; synthesis grade
• Assay: ≥99.0% (GC)
• Bp: 179 °C/1013 hPa
• Vapor pressure: 1.3 hPa ( 20 °C)

Properties

• grade: for synthesis; synthesis grade
• Quality Level: 200
• vapor pressure: 1.3 hPa ( 20 °C)
• Assay: ≥99.0% (GC)
• form: liquid
• autoignition temp.: 190 °C
• potency: 1300 mg/kg LD₅₀, oral (Rat); >1250 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.4-8.5 % (v/v)
• dilution: (for synthesis)
• pH: 5.9 (1 g/L in H₂O)
• bp: 179 °C/1013 hPa
• mp: -26 °C
• transition temp: flash point 64 °C
• solubility: 3.3 g/L
• density: 1.05 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O=Cc1ccccc1
• InChI: 1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
• InChI key: HUMNYLRZRPPJDN-UHFFFAOYSA-N

Description

Application

Benzaldehyde can be used as a reactant to synthesize:

• β-amino ketone derivatives by Cu nanoparticles catalyzed one-pot, three-component Mannich reaction with various aromatic ketones and amines.
• Enantioselective 1-phenyl-1-propanol by asymmetric addition of diethylzinc in the presence of fenchone-based derivatives as catalysts.
• Benzoylborane by reacting with a boryl Grignard reagent (borylmagnesium).
• Diethyl benzylidenemalonate by piperidine catalyzed reaction with diethyl malonate.

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.044 - 1.046
Identity (IR): passes test

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