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P9500

Phenazine

crystalline

Synonym(s):

Dibenzo[b,e]pyrazine

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About This Item

Empirical Formula (Hill Notation):
C12H8N2
CAS Number:
92-82-0
Molecular Weight:
180.21
EC Number:
202-193-9
UNSPSC Code:
12352103
MDL number:
MFCD00005023
Beilstein/REAXYS Number:
126500
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form

crystalline

color

yellow

mp

172-176 °C (lit.)

SMILES string

c1ccc2nc3ccccc3nc2c1

InChI

1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H

InChI key

PCNDJXKNXGMECE-UHFFFAOYSA-N

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Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
091H2609
085H3411
097H3497
070K3460

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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