4-Bromo-2,3-dimethyl-6-nitroaniline

• Catalog Number: ACM108485138
• Product Name: 4-Bromo-2,3-dimethyl-6-nitroaniline
• CAS: 108485-13-8
• Category: Bromine Series
• Synonyms: 4-BROMO-2,3-DIMETHYL-6-NITROANILINE;4-Bromo-6-nitro-2,3-xylidine
• IUPAC Name: 4-bromo-2,3-dimethyl-6-nitroaniline
• Molecular Weight: 245.07
• Molecular Formula: C8H9 Br N2 O2
• Canonical SMILES: CC1=C(C=C(C(=C1C)N)[N+](=O)[O-])Br
• InChI Key: XRYVCCUUPIZPMI-UHFFFAOYSA-N
• Boiling Point: 357.9ºC at 760mmHg
• Melting Point: 152ºC
• Flash Point: 170.3ºC
• Density: 1.609g/cm³
• Exact Mass: 243.98500
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Packing Group: III
• Safety Description: S22-S36/37

Custom Q&A

What is the molecular formula of 4-Bromo-2,3-dimethyl-6-nitroaniline?

The molecular formula is C8H9BrN2O2.

What is the molecular weight of 4-Bromo-2,3-dimethyl-6-nitroaniline?

The molecular weight is 245.07 g/mol.

What is the IUPAC name of 4-Bromo-2,3-dimethyl-6-nitroaniline?

The IUPAC name is 4-bromo-2,3-dimethyl-6-nitroaniline.

What is the InChI of 4-Bromo-2,3-dimethyl-6-nitroaniline?

The InChI is InChI=1S/C8H9BrN2O2/c1-4-5(2)8(10)7(11(12)13)3-6(4)9/h3H,10H2,1-2H3.

What is the InChIKey of 4-Bromo-2,3-dimethyl-6-nitroaniline?

The InChIKey is XRYVCCUUPIZPMI-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Bromo-2,3-dimethyl-6-nitroaniline?

The Canonical SMILES is CC1=C(C=C(C(=C1C)N)[N+](=O)[O-])Br.

What is the CAS number of 4-Bromo-2,3-dimethyl-6-nitroaniline?

The CAS number is 108485-13-8.

What is the xLogP3-AA value of 4-Bromo-2,3-dimethyl-6-nitroaniline?

The xLogP3-AA value is 3.

How many hydrogen bond donor counts does 4-Bromo-2,3-dimethyl-6-nitroaniline have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 4-Bromo-2,3-dimethyl-6-nitroaniline have?

It has 3 hydrogen bond acceptor counts.