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V800076

Sigma-Aldrich

Benzoic acid

LR, ≥99%

Synonym(s):

Benzenecarboxylic acid, Carboxybenzene

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About This Item

Linear Formula:
C6H5COOH
CAS Number:
65-85-0
Molecular Weight:
122.12
Beilstein:
636131
EC Number:
200-618-2
MDL number:
MFCD00002398
UNSPSC Code:
12352300
PubChem Substance ID:
329829136

grade

LR

vapor density

4.21 (vs air)

vapor pressure

10 mmHg ( 132 °C)

product line

Vetec™

Assay

≥99%

form

crystalline

autoignition temp.

1061 °F

bp

249 °C (lit.)

mp

121-125 °C (lit.)

solubility

water: 2.9 g/L at 25 °C

density

1.32 g/cm3 at 20 °C

SMILES string

OC(=O)c1ccccc1

InChI

1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

InChI key

WPYMKLBDIGXBTP-UHFFFAOYSA-N

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Legal Information

Vetec is a trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Health hazardCorrosion
GHS08,GHS05

Signal Word

Danger

Hazard Statements

H315,H318,H372

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1 Inhalation

Target Organs

Lungs

Storage Class Code

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

WGK

WGK 1

Flash Point(F)

249.8 °F - closed cup

Flash Point(C)

121 °C - closed cup

Certificates of Analysis (COA)

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Ly Dieu Tran et al.
Journal of the American Chemical Society, 134(44), 18237-18240 (2012-10-30)
An auxiliary-assisted, copper catalyzed or promoted sulfenylation of benzoic acid derivative β-C-H bonds and benzylamine derivative γ-C-H bonds has been developed. The method employs disulfide reagents, copper(II) acetate, and DMSO solvent at 90-130 °C. Application of this methodology to the
Copper-mediated C-H/C-H biaryl coupling of benzoic acid derivatives and 1,3-azoles.
Mayuko Nishino et al.
Angewandte Chemie (International ed. in English), 52(16), 4457-4461 (2013-03-21)
Wanchun Xiang et al.
ChemSusChem, 6(2), 256-260 (2013-01-25)
Sensing the sun: Incorporation of a cyanomethyl benzoic acid electron acceptor into donor-π-acceptor sensitizers for dye-sensitized-solar cell is shown to lead to devices with improved conversion efficiency when compared with more widely used cyanoacetic acid acceptor.
Renbo Wei et al.
Macromolecular rapid communications, 34(4), 330-334 (2013-01-03)
A new approach is developed to fabricate highly oriented mono-domain LCE nano/microstructures through micro-molding in capillaries. Gratings and microwires as two typical examples are fabricated and characterized by polarizing optical microscopy, optical microscopy, and scanning electron microscopy. The gratings with
G C Tremblay et al.
Pharmacology & therapeutics, 60(1), 63-90 (1993-10-01)
Detoxification of sodium benzoate by elimination as a conjugate with glycine, a nonessential amino acid, provides a pathway for the disposal of waste nitrogen. Since 1979, sodium benzoate has been widely used in the therapeutic regimen to combat ammonia toxicity
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