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2-Chloro-4-nitroaniline

Catalog Number
ACM121879
CAS Number
121-87-9
Product Name
2-Chloro-4-nitroaniline
Structure
Category
Organic Non-Linear Optical (NLO) Materials; Other Materials
Synonyms
2-Chloro-4-nitrobenzenamine
Description
Alfa Chemistry offers high-purity 2-Chloro-4-nitroaniline products for various research purposes. Please contact us by email if you do not find the specification you are looking for on this page.
IUPAC Name
2-chloro-4-nitroaniline
Molecular Weight
172.57
Molecular Formula
C6H5ClN2O2
Canonical SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)N
InChI
InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
InChI Key
LOCWBQIWHWIRGN-UHFFFAOYSA-N
Boiling Point
200 °C
Melting Point
107.0 to 110.0 °C
Flash Point
Flash point = 205 °C;205 °C
Purity
>98.0%(GC)
Solubility
Insoluble in water Very soluble in Ether,Alcohol Soluble in Benzene
Appearance
Light yellow to Yellow to Orange powder to crystal
Application
Nonlinear optical materials may be important for large-capacity communications, because further application of this material may provide a device in an all optical system.
Color/Form
Yellow needles from water
Complexity
159
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
204-502-2
Exact Mass
172.0039
Features And Benefits
Nonlinear optical materials efficiently exhibit nonlinear optical phenomena, which are conversion of light wavelength, amplification of light, and conversion of the refractive index depending on optical intensity.
Formal Charge
0
Heavy Atom Count
11
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
1
ICSC Number
1076
Isotope Atom Count
0
Log P
2.14 (LogP);log Kow = 2.14;2.3
MDL Number
MFCD00007665
MeSH Entry Terms
2-chloro-4-nitroaniline
Monoisotopic Mass
172.0039
NSC Number
3548
Other Experimental
Henry's Law constant = 0.54X10-9 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 3.93X10-12 cu cm/molec-sec at 25 °C (est)
Rotatable Bond Count
0
RTECS Number
BX1400000
Storage Conditions
Store at room temperature and dry
Topological Polar Surface Area
71.8 Ų
UNII
XSA3ZX337B
UN Number
2237;2237
Vapor Pressure
4.85X10-4 mm Hg at 25 °C (est);Vapor pressure, Pa at 25 °C: 0.00046
XLogP3
2.1
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