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线性分子式:
C6H5CH2CH(CH3)2
化学文摘社编号:
分子量:
134.22
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
208-706-2
Beilstein/REAXYS Number:
1852218
MDL number:
grade
analytical standard
Quality Level
vapor pressure
4.2 mmHg ( 37.7 °C)
assay
≥99.5% (GC)
autoignition temp.
802 °F
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
refractive index
n20/D 1.486
bp
170 °C/736 mmHg (lit.)
mp
−51 °C (lit.)
density
0.853 g/mL at 25 °C (lit.)
application(s)
environmental
format
neat
SMILES string
CC(C)Cc1ccccc1
InChI
1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI key
KXUHSQYYJYAXGZ-UHFFFAOYSA-N
Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
signalword
Warning
hcodes
Hazard Classifications
Aquatic Acute 1 - Aquatic Chronic 1 - Flam. Liq. 3
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
118.6 °F - closed cup
flash_point_c
48.1 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
Alan P Graves et al.
Journal of medicinal chemistry, 48(11), 3714-3728 (2005-05-27)
Molecular docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function can mislead by predicting incorrect ligand geometries or by selecting
Brian D Fitz et al.
Journal of chromatography. A, 1392, 82-90 (2015-03-31)
Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct vapor. An Agilent LTM equipped with a short microbore capillary column was operated at
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