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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/REAXYS Number:
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

signalword

Danger

Hazard Classifications

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

target_organs

Lungs

Storage Class

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

wgk_germany

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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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
S Nacht et al.
Journal of the American Academy of Dermatology, 4(1), 31-37 (1981-01-01)
The transepidermal penetration and metabolic disposition of 14C-benzoyl peroxide were assessed in vitro (excised human skin) and in vivo (rhesus monkey). In vitro, the benzoyl peroxide penetrated into the skin, through the stratum corneum or the follicular openings, or both
Michelle G Rooks et al.
The ISME journal, 8(7), 1403-1417 (2014-02-07)
Dysregulated immune responses to gut microbes are central to inflammatory bowel disease (IBD), and gut microbial activity can fuel chronic inflammation. Examining how IBD-directed therapies influence gut microbiomes may identify microbial community features integral to mitigating disease and maintaining health.
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)
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
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