2,6-Diiodo-4-nitroaniline

• CAS: 5398-27-6
• Catalog Number: ACM5398276
• Category: Amines
• Molecular Weight: 389.92
• Molecular Formula: C₆H₄I₂N₂O₂
• Synonyms: 2,6-Diiodo-4-nitroaniline, 2,6-Diiodo-4-nitroaniliine, D123706_ALDRICH, NSC4606, CID79386, EINECS 226-429-5, SBB007537, ZINC03860381, 5398-27-6, InChI=1/C6H4I2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H
• IUPAC Name: 2,6-diiodo-4-nitroaniline
• Canonical SMILES: C1=C(C=C(C(=C1I)N)I)[N+](=O)[O-]
• InChI Key: YPVYMWQYENWFAT-UHFFFAOYSA-N
• Boiling Point: 430.8ºC at 760mmHg
• Melting Point: 251-253ºC(lit.)
• Flash Point: 214.4ºC
• Density: 2.639g/cm³
• Appearance: yellow to green crystalline powder
• EC Number: 226-429-5
• Exact Mass: 389.83600
• Hazard Statements: H300 + H310 + H330-H373-H411
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• RIDADR: UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
• Safety Description: S26-S37/39
• Symbol: GHS06
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2,6-Diiodo-4-nitroaniline?

The molecular formula is C6H4I2N2O2.

What is the IUPAC Name of 2,6-Diiodo-4-nitroaniline?

The IUPAC Name is 2,6-diiodo-4-nitroaniline.

What is the InChI of 2,6-Diiodo-4-nitroaniline?

The InChI is InChI=1S/C6H4I2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2.

What is the InChIKey of 2,6-Diiodo-4-nitroaniline?

The InChIKey is YPVYMWQYENWFAT-UHFFFAOYSA-N.

What is the Canonical SMILES of 2,6-Diiodo-4-nitroaniline?

The Canonical SMILES is C1=C(C=C(C(=C1I)N)I)[N+](=O)[O-].

What is the molecular weight of 2,6-Diiodo-4-nitroaniline?

The molecular weight is 389.92 g/mol.

What is the XLogP3-AA value of 2,6-Diiodo-4-nitroaniline?

The XLogP3-AA value is 2.4.

What is the hydrogen bond donor count of 2,6-Diiodo-4-nitroaniline?

The hydrogen bond donor count is 1.

What is the hydrogen bond acceptor count of 2,6-Diiodo-4-nitroaniline?

The hydrogen bond acceptor count is 3.

Is 2,6-Diiodo-4-nitroaniline a canonicalized compound?

Yes, 2,6-Diiodo-4-nitroaniline is a canonicalized compound.