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Benzaldehyde

Benzaldehyde

Names

Preferred IUPAC name

Benzaldehyde[1]

Systematic IUPAC name

Benzenecarbaldehyde

Other names
Benzenecarboxaldehyde
Phenylmethanal
Benzoic aldehyde

Identifiers

CAS Number

100-52-7 Y

3D model (Jmol)
Interactive image
Interactive image

ChEBI
CHEBI:17169 Y

ChEMBL
ChEMBL15972 Y

ChemSpider
235 Y

ECHA InfoCard
100.002.601

EC Number
202-860-4

KEGG
D02314 Y

PubChem
240

RTECS number
CU437500

UNII
TA269SD04T Y

InChI

InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H Y
Key: HUMNYLRZRPPJDN-UHFFFAOYSA-N Y

InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
Key: HUMNYLRZRPPJDN-UHFFFAOYAE

SMILES

O=Cc1ccccc1

c1ccc(cc1)C=O

Properties

Chemical formula

C7H6O

Molar mass
106.12 g·mol−1

Appearance
colorless or yellowish liquid
strongly refractive

Odor
almond-like

Density
1.044 g/mL, liquid

Melting point
−57.12[2] °C (−70.82 °F; 216.03 K)

Boiling point
178.1 °C (352.6 °F; 451.2 K)

Solubility in water

0.3 g/100 mL (20 °C)[3]

Solubility
soluble in liquid ammonia

Solubility
.695 g/100 mL

log P
1.48

Magnetic susceptibility (χ)

-60.78·10−6 cm3/mol

Refractive index (nD)

1.5456

Viscosity
1.321 cP (25 °C)

Thermochemistry

Std enthalpy of
formation (ΔfHo298)

−36.8 kJ/mol

Std enthalpy of
combustion (ΔcHo298)

−3525.1 kJ/mol

Hazards

Safety data sheet
J. T. Baker

EU classification (DSD)

Xn

R-phrases
R22

S-phrases
(S2), S24

NFPA 704

2
2
1

Flash point
64 °C (147 °F; 337 K)

Autoignition
temperature

192 °C (378 °F; 465 K)

Explosive limits
1.4-8.5%

Lethal dose or concentration (LD, LC):

LD50 (median dose)

1300 mg/kg (rat, oral)

Related compounds

Related compounds

Benzyl alcohol
Benzoic acid

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Y verify (what is YN ?)

Infobox references

Benzaldehyde (C6H5CHO) is an organic compound consisting of a benzene ring with a formyl substituent. It is the simplest aromatic aldehyde and one of the most industrially useful.
This colorless liquid has a characteristic almond-like odor. Benzaldehyde is the primary component of bitter almond oil and can be extracted from a number of other natural sources.[4] Synthetic ben