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03-0745

Sigma-Aldrich

Benzaldehyde

SAJ special grade, ≥98.0%

Synonym(s):

Bitter almond

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About This Item

Linear Formula:
C6H5CHO
CAS Number:
Molecular Weight:
106.12
Beilstein/REAXYS Number:
471223
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

grade

SAJ special grade

vapor density

3.7 (vs air)

vapor pressure

4 mmHg ( 45 °C)

assay

≥98.0%

form

liquid

autoignition temp.

374 °F

expl. lim.

1.4 %, 20 °F

availability

available only in Japan

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.)

SMILES string

O=Cc1ccccc1

InChI

1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H

InChI key

HUMNYLRZRPPJDN-UHFFFAOYSA-N

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Related Categories

signalword

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

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

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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A one-pot transition-metal-free, base-mediated synthesis of dibenzo[b,f]oxepins was developed. The reaction of 2-halobenzaldehydes with (2-hydroxyphenyl)acetonitriles proceeds via a sequential aldol condensation and intramolecular ether formation reaction in the presence of Cs(2)CO(3) and molecular sieves in toluene.
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Proceedings of the National Academy of Sciences of the United States of America, 106(9), 3537-3542 (2009-02-17)
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