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2-Nitrodiphenyl

Catalog Number
ACM86000
Product Name
2-Nitrodiphenyl
Structure
CAS
86-00-0
Category
Other Electronic Materials
Description
Gold to tan crystals or brown solid. (NTP, 1992)
IUPAC Name
1-nitro-2-phenylbenzene
Molecular Weight
199.2g/mol
Molecular Formula
C12H9NO2
Canonical SMILES
C1=CC=C(C=C1)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChI Key
YOJKKXRJMXIKSR-UHFFFAOYSA-N
Boiling Point
608 °F at 760 mm Hg (NTP, 1992);320.0 °C
Melting Point
97 to 100 °F (NTP, 1992);37.2 °C
Flash Point
290 °F (NTP, 1992)
Density
1.203 at 77 °F (NTP, 1992)
Solubility
less than 1 mg/mL at 72° F (NTP, 1992)
Complexity
218
Covalently-Bonded Unit Count
1
EC Number
201-646-8
Exact Mass
199.063329g/mol
Formal Charge
0
Heavy Atom Count
15
Monoisotopic Mass
199.063329g/mol
NSC Number
5532
Rotatable Bond Count
1
UNII
8R1N47E4DT
Vapor Density
5.9 (NTP, 1992) (Relative to Air)
Vapor Pressure
2 mm Hg at 284 °F (NTP, 1992)
XLogP3
3.7
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