CAS 88-74-4 2-Nitroaniline - Materials / Alfa Chemistry

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Organic Non-Linear Optical (NLO) Materials

2-Nitroaniline

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Catalog Number

ACM88744

Product Name

2-Nitroaniline

Structure

CAS

88-74-4

Category

Organic Non-Linear Optical (NLO) Materials

Description

Alfa Chemistry offers high-purity 2-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-nitroaniline

Molecular Weight

138.13

Molecular Formula

C6H6N2O2

Canonical SMILES

C1=CC=C(C(=C1)N)[N+](=O)[O-]

InChI

InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2

InChI Key

DPJCXCZTLWNFOH-UHFFFAOYSA-N

Boiling Point

165 °C/28 mmHg

Melting Point

72.0 to 74.0 °C

Flash Point

335 °F (NTP, 1992);168 °C

Purity

>99.0%(GC)

Density

1.44 at 68 °F (USCG, 1999);0.9015 at 25 °C/4 °C;1.44 g/cm³

Solubility

Slightly soluble in water Slightly soluble Very soluble in Ether Soluble in Chloroform,Alcohol,Benzene,Acetone

Appearance

Light yellow to Brown 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-orange crystals from boiling water;Orange-red needles

Complexity

132

Covalently-Bonded Unit Count

EC Number

201-855-4

Exact Mass

138.042927g/mol

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

Heavy Atom Count

ICSC Number

0306

Log P

1.85 (LogP);log Kow = 1.85;1.44

MDL Number

MFCD00007687

MeSH Entry Terms

2-nitroaniline;o-nitroaniline;ortho-nitroaniline

Monoisotopic Mass

138.042927g/mol

NSC Number

9796

Odor

Musty

Other Experimental

Heat of fusion at melting point = 16.1 kJ/mol;Ideal Gas Heat of Formation = 6.38X10+7 Joules/kmol;Liquid molar volume is 0.1358 cu m/kmol;VP: 1 mm Hg at 104.0 °C;Forms water soluble salts with mineral acids;Henry's Law constant = 5.90X10-8 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 1.35X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

BY6650000

Storage Conditions

Store at room temperature and dry

UNII

2519U0541L

UN Number

1661;1661

Vapor Density

4.77 (NTP, 1992) (Relative to Air)

Vapor Pressure