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Merck
CN

46660

氟苯

puriss., ≥99.5% (GC)

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经验公式（希尔记法）:
C6H5F
化学文摘社编号:
462-06-6
分子量:
96.10
EC Number:
207-321-7
UNSPSC Code:
12352100
PubChem Substance ID:
24870353
Beilstein/REAXYS Number:
1236623
MDL number:
MFCD00000280

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grade

puriss.

assay

≥99.5% (GC)

refractive index

n20/D 1.465

bp

85 °C (lit.)

mp

−42 °C (lit.)

density

1.024 g/mL at 25 °C (lit.)

SMILES string

Fc1ccccc1

InChI

1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H

InChI key

PYLWMHQQBFSUBP-UHFFFAOYSA-N

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signalword

Danger

Hazard Classifications

Aquatic Chronic 2 - Eye Dam. 1 - Flam. Liq. 2

存储类别

3 - Flammable liquids

wgk

WGK 2

flash_point_f

5.0 °F - closed cup

flash_point_c

-15 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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A Yokota-Nakatsuma et al.
Mucosal immunology, 7(4), 786-801 (2013-11-14)
The vitamin A (VA) metabolite retinoic acid (RA) affects the properties of T cells and dendritic cells (DCs). In VA-deficient mice, we observed that mesenteric lymph node (MLN)-DCs induce a distinct inflammatory T helper type 2 (Th2)-cell subset that particularly
Qian Luo et al.
Journal of chromatography. A, 1365, 45-53 (2014-09-27)
When iodide and natural organic matter are present in raw water, the formation of iodo-trihalomethanes (Iodo-THMs), haloacetonitriles (HANs), and halonitromethanes (HNMs) pose a potential health risk because they have been reported to be more toxic than their brominated or chlorinated
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
Giulia Caron et al.
Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)
Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in

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