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06185

苯甲酸

TraceCERT®, certified reference material, 1H-qNMR Standard, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

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关于此项目

线性分子式:
C6H5COOH
化学文摘社编号:
65-85-0
分子量:
122.12
NACRES:
NA.24
E Number:
E210
PubChem Substance ID:
329748216
UNSPSC Code:
41116107
EC Number:
200-618-2
MDL number:
MFCD00002398
Beilstein/REAXYS Number:
636131
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Quality Level

300

vapor density

4.21 (vs air)

vapor pressure

10 mmHg ( 132 °C)

description

qNMR Standard for organic solvents (8.2-7.4 ppm)

grade

certified reference material, TraceCERT®

form

crystalline

autoignition temp.

1061 °F

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

gas chromatography (GC): suitable, qNMR: suitable ((standard)), qNMR: suitable

bp

249 °C (lit.)

mp

121-125 °C (lit.)

application(s)

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

format

neat

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

General description

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

Other Notes

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
查看ChemisTwin，我们全新的在线门户网站，可确认NMR身份。定量NMR的特性正在开发中了解更多或联系我们免费试用。

Legal Information

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

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pictograms

Health hazardCorrosion
GHS08,GHS05

signalword

Danger

Hazard Classifications

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

target_organs

Lungs

存储类别

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

flash_point_f

Not applicable

flash_point_c

Not applicable

分析证书(COA)

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The signal ratio of two different protons can be measured with tremendous precision, which enables the generation of certified reference materials for use as qNMR standards.

NMR Chemical Shifts of Impurities

NMR shift charts assist in identifying impurities in deuterated solvents, aiding accurate chemical analysis.

ChemisTwin® Portal FAQ

Learn about ChemisTwin® Portal, an online analytical spectra interpretation tool. Discover its NMR lab benefits, workflow integration, and user responsibilities. Explore dRMs, algorithm accuracy, data formats, subscription possibilities, and more.

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ChemisTwin™ & Digital Reference materials (dRMs)

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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
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
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
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全球贸易项目编号

货号GTIN
06185-1G04061838645890