naphthalene-2,3-diamine

• ChemBase ID: 103178
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: Nc1c(N)cc2ccccc2c1
• Canonical SMILES: Nc1cc2ccccc2cc1N
• InChI: InChI=1S/C10H10N2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H,11-12H2
• InChIKey: XTBLDMQMUSHDEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-2,3-diamine
• IUPAC Traditional name: 2,3-naphthalenediamine
• Synonyms: naphthalene-2,3-diamine; 2,3-Naphthalenediamine; DAN; 2,3-DIAMINONAPHTHALENE; 2,3-Diaminonaphthalene; 2,3-二氨基萘

Database IDs

• CAS Number: 771-97-1
• EC Number: 212-241-0
• MDL Number: MFCD00004116
• Beilstein Number: 2206394
• PubChem SID: 24889101; 24893709; 162103118
• PubChem CID: 69872

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2774887
• LogD (pH = 7.4): 1.3045149
• Log P: 1.3048706
• Molar Refractivity: 51.909 cm^3
• Polarizability: 20.20574 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Slightly soluble in water
• Apperance: powder
• Melting Point: 193-196°C; 195-198°C; 197-203 °C
• Density: 1.096
• Hydrophobicity(logP): 0.862
• Fluorescence: λex 364 nm; λem 406 nm in 0.5 M Na carbonate pH 10.0 (after derivatization with NaNO2 in 0.1 M HCl)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Toxic (T); X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-36/37/38; 45-22-36/37/38
• Safety Statements: 26; 53-26-45; 9-26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H301-H311-H332-H315-H319-H335; H302-H315-H319-H335; H302-H315-H319-H335-H350
• GHS Precautionary statements: P201-P261-P305 + P351 + P338-P308 + P313; P261-P301+P310-P305+P351+P338-P361-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95% (GC); ≥98.0% (HPLC); 95%; 97%
• Suitability: suitable for fluorescence
• Product Line: BioReagent
• Empirical Formula (Hill Notation): C10H10N2

DETAILS

MP Biomedicals - 05205933

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150839

Used for determination of selenium. Also used for the detection of nitric oxide via a sensitive fluorometric assay of nitrite (NO^2^-).

Sigma Aldrich - 88461

Analysis Note
In addition to the emission maximum at 406 nm, there are lower maxima at 426, 386 and 450 nm
Application
suitable for fluorescence-spectroscopic determination of NO2-