PHR1311
甲苯
Pharmaceutical Secondary Standard; Certified Reference Material
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线性分子式:
C6H5CH3
化学文摘社编号:
分子量:
92.14
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
203-625-9
Beilstein/REAXYS Number:
635760
MDL number:
产品名称
甲苯, Pharmaceutical Secondary Standard; Certified Reference Material
InChI
1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChI key
YXFVVABEGXRONW-UHFFFAOYSA-N
SMILES string
Cc1ccccc1
grade
certified reference material
pharmaceutical secondary standard
agency
traceable to USP 1601805
vapor density
3.2 (vs air)
vapor pressure
22 mmHg ( 20 °C)
26 mmHg ( 25 °C)
CofA
current certificate can be downloaded
autoignition temp.
997 °F
expl. lim.
7 %
technique(s)
HPLC: suitable
gas chromatography (GC): suitable
refractive index
n/D 1.496 (lit.)
bp
110-111 °C (lit.)
mp
-93 °C (lit.)
density
0.865 g/mL at 25 °C (lit.)
application(s)
pharmaceutical (small molecule)
format
neat
storage temp.
2-30°C
Quality Level
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Analysis Note
These secondary standards offer multi-traceability to the US and EP primary standards, where they are available.
Application
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.
General description
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.
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.
Other Notes
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.
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.
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.
signalword
Danger
Hazard Classifications
Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2 Inhalation - STOT SE 3
target_organs
Central nervous system
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
39.9 °F - closed cup
flash_point_c
4.4 °C - closed cup
法规信息
易制毒化学品（3类）
危险化学品
此项目有
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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