Merck
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安全信息

PHR1311

Supelco

甲苯

Pharmaceutical Secondary Standard; Certified Reference Material

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线性分子式:
C6H5CH3
CAS号:
108-88-3
分子量:
92.14
Beilstein:
635760
EC 号:
203-625-9
MDL编号:
MFCD00008512
PubChem化学物质编号:
329823297
NACRES:
NA.24

等级

certified reference material
pharmaceutical secondary standard

质量水平

300

Agency

traceable to USP 1601805

蒸汽密度

3.2 (vs air)

蒸汽压

22 mmHg ( 20 °C)
26 mmHg ( 25 °C)

CofA

current certificate can be downloaded

自燃温度

997 °F

expl. lim.

7 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

折射率

n/D 1.496 (lit.)

bp

110-111 °C (lit.)

mp

-93 °C (lit.)

密度

0.865 g/mL at 25 °C (lit.)

application(s)

pharmaceutical (small molecule)

格式

neat

储存温度

2-30°C

SMILES string

Cc1ccccc1

InChI

1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3

InChI key

YXFVVABEGXRONW-UHFFFAOYSA-N

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相关类别

一般描述

Toluene is a non-polar organic solvent and methyl derivative of benzene. As per USP and EP, it belongs to the Class 2 category of organic solvents and has limited application in the synthesis of pharmaceuticals, due to its moderate toxicity.
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.

应用

These Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.
Toluene may be used as a pharmaceutical solvent reference standard for the determination of the analyte in bulk drug and pharmaceutical formulations by gas chromatography.

分析说明

These secondary standards offer multi-traceability to the USP, EP (PhEur) and BP primary standards, where they are available.

其他说明

This Certified Reference Material (CRM) is produced and certified in accordance with ISO 17034 and ISO/IEC 17025. All information regarding the use of this CRM can be found on the certificate of analysis.

附注

To see an example of a Certificate of Analysis for this material enter LRAC2115 in the slot below. This is an example certificate only and may not be the lot that you receive.

推荐产品

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

警示用语：

Danger

危险分类

Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3

靶器官

Central nervous system

储存分类代码

3 - Flammable liquids

WGK

WGK 3

闪点(°F)

39.9 °F

闪点(°C)

4.4 °C

法规信息

易制毒化学品（3类）
危险化学品

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5.4 Residual Solvents
European Pharmacopoeia Commission and European Directorate for the Quality of Medicines & Healthcare
European pharmacopoeia, 5553-5560 (2018)
?467? Residual Solvents
USP43/NF38: United States Pharmacopeia and National Formulary
United States Pharmacopeia/National Formulary, 45(3), 6712-6712 (2019)
Organic solvents in the pharmaceutical industry
Grodowska K and Parczewski A
Acta Poloniae Pharmaceutica, 67(1), 3-12 (2010)
A generic static headspace gas chromatography method for determination of residual solvents in drug substance.
Cheng, et al.
Journal of Chromatography A, 1217(41), 6413-6421 (2010)
Marina Shalaeva et al.
Journal of medicinal chemistry, 56(12), 4870-4879 (2013-05-29)
This study demonstrates that ΔlogP(oct-tol) (difference between logP(octanol) and logP(toluene)) describes compounds propensity to form intramolecular hydrogen bonds (IMHB) and may be considered a privileged molecular descriptor for use in drug discovery and for prediction of IMHB in drug candidates.
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