Mixture of 2,2',4,4',6,6'-Hexanitrobiphenyl + Oxirane, (chloromethyl)-

2,2',4,4',6,6'-Hexanitrobiphenyl

Name
2,2',4,4',6,6'-Hexanitrobiphenyl
InChI
InChI=1S/C12H4N6O12/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H
InChI Key
PJTZYMXZEQWUHG-UHFFFAOYSA-N
Formula
C12H4N6O12
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
Mol. Weight (g/mol)
424.19

Oxirane, (chloromethyl)-

Name
Oxirane, (chloromethyl)-
InChI
InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2
InChI Key
BRLQWZUYTZBJKN-UHFFFAOYSA-N
Formula
C3H5ClO
SMILES
ClCC1CO1
Mol. Weight (g/mol)
92.52
CAS
13403-37-7
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Datasets

  1. Mole fraction

Mole fraction of 2,2',4,4',6,6'-Hexanitrobiphenyl (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of 2,2',4,4',6,6'-Hexanitrobiphenyl (1) - Liquid
313.15 0.0365
318.15 0.0397
323.15 0.0428
328.15 0.0462
333.15 0.0494
338.15 0.0536
343.15 0.0583
348.15 0.0633
353.15 0.0715

Sources

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