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Merck
CN
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文件

安全信息

06185

Supelco

苯甲酸

Standard for quantitative NMR, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

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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:
41116107
PubChem化学物质编号:
329748216
E编号:
E210
NACRES:
NA.24

等级

Standard for quantitative NMR
certified reference material
TraceCERT®

质量水平

300

蒸汽密度

4.21 (vs air)

蒸汽压

10 mmHg ( 132 °C)

描述

qNMR Standard for organic solvents (8.2-7.4 ppm)

形式

crystalline

自燃温度

1061 °F

保质期

limited shelf life, expiry date on the label

制造商/商品名称

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

技术

gas chromatography (GC): suitable
qNMR: suitable

bp

249 °C (lit.)

mp

121-125 °C (lit.)

应用

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
pharmaceutical

格式

neat

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

该有证标准物质（CRM）是根据ISO/IEC 17025和ISO 17034生产和认证的。该CRM可追溯到来自NMI的原材料，如 NIST或NMIJ。
证书上给出了定量核磁共振法认证的内容，包括不确定性和失效日期。
下载证书网址：http://www.sigma-aldrich.com。

有关合适的仪器技术的更多信息，请参阅产品的分析证书。

查看我们完整的定量NMR标准品（qNMR标准品）系列。
这种物质被列入EU第10/2011号法规中用于与食品接触的塑料的正面清单。在此查找10/2011中列出的化合物的所有可用参考材料

其他说明

化学位移：7.4 - 8.2 ppm（根据实验条件，化学位移可能略有不同）
适当的 NMR 溶剂：MeOD, DMSO-d6, CDCI6

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法律信息

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

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

法规信息

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Allen J Duplantier et al.
Journal of medicinal chemistry, 52(11), 3576-3585 (2009-05-15)
3-Hydroxyquinolin-2(1H)-one (2) was discovered by high throughput screening in a functional assay to be a potent inhibitor of human DAAO, and its binding affinity was confirmed in a Biacore assay. Cocrystallization of 2 with the human DAAO enzyme defined 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)
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
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.
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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