naphthalene-1,8-diamine

• ChemBase ID: 78356
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: Nc1c2c(cccc2ccc1)N
• Canonical SMILES: Nc1cccc2c1c(N)ccc2
• InChI: InChI=1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2
• InChIKey: YFOOEYJGMMJJLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-1,8-diamine
• IUPAC Traditional name: 1,8-diaminonaphthalene
• Synonyms: naphthalene-1,8-diamine; 1,8-Diaminonaphthalene; Naphthalene-1,8-diamine 99%; 1,8-Diaminonaphthalene; Naphthalene-1,8-diamine 90%; 1,8-Naphthalenediamine; 1,8-Diaminonaphthalene; HFAA; HFBA; U - Heptafluorobutyric anhydride; 1,8-DIAMINONAPHTHALENE TECHNICAL GRADE; 1,8-萘二胺; 1,8-二氨基萘; 全氟丁酸酐; 七氟丁酸酐

Database IDs

• CAS Number: 336-59-4; 479-27-6
• EC Number: 207-529-8
• MDL Number: MFCD00004033
• Beilstein Number: 742841
• Merck Index: 146372
• PubChem SID: 24893638; 24859993; 24859999; 162043125
• PubChem CID: 68067
• CHEMBL: 595537
• Chemspider ID: 61381
• Wikipedia Title: 1,8-Diaminonaphthalene

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2587748
• LogD (pH = 7.4): 1.3042595
• Log P: 1.3048706
• Molar Refractivity: 51.909 cm^3
• Polarizability: 20.209873 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-65 °C; 60-65 °C(lit.); 61-65°C; 62-64°C; 63-67 °C
• Boiling Point: 205 °C/12 mmHg(lit.); 205°C/12mm; 205°C/12mm
• Flash Point: 195°C; 195°C(383°F)
• Fluorescence: λex 356 nm; λem 392 nm in cyclohexane

Safety Information

• Storage Warning: Irritant/Carcinogenic
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-40-43
• Safety Statements: 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H317-H351; H302-H317-H351
• GHS Precautionary statements: P261-P301+P310-P302+P352-P321-P405-P501A; P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: ≥95.0% (HPLC); ≥98.0% (HPLC/NT); 90%; 97%; 99%
• Grade: for fluorescence; purum; TECHNICAL; technical; technical grade
• Linear Formula: C10H6(NH2)2

DETAILS

MP Biomedicals - 05207946

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 33170

Caution
may discolor to brown on storage

Sigma Aldrich - D21405

Packaging
5, 100, 500 g in glass bottle

Sigma Aldrich - 33170

Caution
may discolor to brown on storage