1,4-Naphthalenediamine
Basic information
- CAS
2243-61-0- Standard SMILES
Nc1ccc(N)c2ccccc12- InChIKey
OKBVMLGZPNDWJK-UHFFFAOYSA-N- Molecular formula
- C10H10N2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.08439833
Overview
1,4-naphthalenediamine is a dark green to black crystalline solid. (NTP, 1992)
Names & identifiers
- Preferred name
- 1,4-Naphthalenediamine
- IUPAC
- naphthalene-1,4-diamine
- English name
- 1,4-Diaminonaphthalene
- Molecular formula
- C10H10N2
- Molecular weight
- 158.2
Names & synonyms
2243-61-01,4-Naphthalenediamine1,4-NaphthylenediamineDTXSID6025696DTXCID805696RefChem:416980218-816-2Naphthalene-1,4-diamine1,4-DiaminonaphthaleneCCRIS 6072(4-amino-1-naphthyl)amineMFCD01712813
Show more names
Naphthalin-1,4-diamin1,4-Diaminonaphthalene 97%(4-amino-1-naphthyl)amine(SALTDATA: 2HCl)(4-aMino-1-naphthyl)aMine dihydrochloride (SALTDATA: 2HCl)
BRN 28030261,4-NaphthylendiaminEN300-310656W188231,4-Naphthalene diamineEINECS 218-816-2YSWG3141,4-naphthylene
Database identifiers
- CAS
2243-61-0- PubChem CID
- 16719
- DTXSID
DTXSID6025696- ChEMBL
CHEMBL3183071- ChEBI
CHEBI:231279- EC Number
- 218-816-2
- Nikkaji
- J80.433I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Melting Point248 °F (NTP, 1992)
Physical Description1,4-naphthalenediamine is a dark green to black crystalline solid. (NTP, 1992)
Physicochemical properties
- Melting point
- 114 · 114-116 °C
- Boiling point
- 273.29 °C · 273.29°C (rough estimate)
- Density
- 1.1192 · 1.1192 (rough estimate)
- refractive index
- 1.6441 · 1.6441 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- form
- solid
- pka
- 5.72 · 5.72±0.10(Predicted)
- Appearance
- Light yellow to brown Solid
- InChI
- 1S/C10H10N2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H,11-12H2
- InChIKey
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
DOT LabelClass 9
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Exposure to a related compound causes irritation.
Reactive GroupAmines, Aromatic
Reactivity Profile
1,4-NAPHTHALENEDIAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Air and Water ReactionsThis chemical may be sensitive to prolonged exposure to air. Insoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety & protection
Chemistry & industry
Applications
Uses1,4-DIAMINONAPHTHALENE is used as a monomer for the synthesis of COF materials: COF-Ph-NaPh/COF-Naph-Ph/COF-Naph.
General DescriptionDark green to black crystalline solid.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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