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Merck
CN
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文件

18102

Sigma-Aldrich

苯甲酸

meets analytical specification of Ph. Eur., BP, USP, FCC, E210, 99.5-100.5% (alkalimetric)

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别名:
Benzenecarboxylic acid, Carboxybenzene
线性分子式:
C6H5COOH
CAS号:
65-85-0
分子量:
122.12
Beilstein:
636131
EC 号:
200-618-2
MDL编号:
MFCD00002398
UNSPSC代码:
12352100
PubChem化学物质编号:
57647710
NACRES:
NA.21

蒸汽密度

4.21 (vs air)

质量水平

200

蒸汽压

10 mmHg ( 132 °C)

检测方案

99.5-100.5% (alkalimetric)

形式

crystalline

自燃温度

1061 °F

质量

meets analytical specification of Ph. Eur., BP, USP, FCC, E210

杂质

oxidisable substances, complies
 residual solvents, complies
≤0.0005% heavy metals (as Pb)
≤0.03% halogen compounds (as Cl)
≤0.7% water (Karl Fischer)

灼烧残渣

≤0.05% (as SO4)

缺失

≤0.5% loss on drying, 3 h (via H2SO4)

pH值（酸碱度）

3-5 (20 °C, 0.1%)

bp

249 °C (lit.)

mp

121-125 °C (lit.)

溶解性

water: soluble (2.9 g/l at 25 °C)

痕量阳离子

As: ≤3 mg/kg
Cu: ≤10 mg/kg
Hg: ≤1 mg/kg
Pb: ≤2 mg/kg
Zn: ≤20 mg/kg

适用性

complies for appearance of solution
complies for reaction against H2SO4

SMILES字符串

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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相关类别

一般描述

Benzoic acid is an aromatic monocarboxylic acid. It occurs in the form of colorless leaflets or needles. It reacts with hydrogenating reagents to afford hexahydrobenzoic acid. On decomposition (by heating) in the presence of lime or alkali, it affords benzene and carbon dioxide. It can be synthesized by the cobalt or manganese catalyzed atmospheric oxidation of toluene.

应用

Benzoic acid may be employed as a standard in the quantitative and calorimetric studies. It may be employed as an intermediate in the synthesis of the following:
  • paints
  • pigments
  • varnish
  • wetting agents
  • aroma compounds
  • benzoyl chloride
  • benzotrichloride
It was used to investigate the mechanism of complex addition reaction of hydroxyl radicals with various aromatic compounds.

象形图

Health hazardCorrosion
GHS08,GHS05

警示用语：

Danger

危险声明

H315,H318,H372

危险分类

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

靶器官

Lungs

WGK

WGK 1

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Hydroxylation by electrochemically generated OH. radicals. Mono-and polyhydroxylation of benzoic acid: products and isomer distribution.
Oturan MA and Pinson J.
The Journal of Physical Chemistry, 99(38), 13948-13954 (1995)
Eagleson M.
Concise Encyclopedia Chemistry, 122-122 (1994)
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.
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