2,3-Diaminopyridine
Basic information
- CAS
452-58-4- Standard SMILES
Nc1cccnc1N- InChIKey
ZZYXNRREDYWPLN-UHFFFAOYSA-N- Molecular formula
- C5H7N3
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.06399722
Overview
2,3-Diaminopyridine is an aminopyridine.
Names & identifiers
- Preferred name
- 2,3-Diaminopyridine
- IUPAC
- pyridine-2,3-diamine
- English name
- 2,3-Diaminopyridine
- Molecular formula
- C5H7N3
- Molecular weight
- 109.13
Names & synonyms
2,3-Diaminopyridine452-58-42,3-PyridinediaminePyridine, 2,3-diamino-DTXSID0051493CBX394737HNSC-45406DTXCID9030676RefChem:81548207-200-9pyridine-2,3-diamineMFCD00006319
Show more names
3-DiaMinopyridine2,3-diamino-pyridinTIMTEC-BB SBB004339Pyridin-2,3-diaMine2,3-Diaminopyridine99%2,3-Diaminopyridine,98%
Pyridine-2,3-diyldiamine2,3-diamino-pyridineEINECS 207-200-9NSC 45406BRN 0109869UNII-CBX394737H2,3-Pyridinediamine; N2-Benzyl-2,3-pyridinediamine; NSC 45406AI3-52327
Database identifiers
- CAS
452-58-4- PubChem CID
- 9956
- DTXSID
DTXSID0051493- ChEBI
CHEBI:195591- UNII
- CBX394737H
- EC Number
- 207-200-9
- Nikkaji
- J79.620D
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.1
Experimental & physicochemical properties
Collision Cross Section118.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0051493]
Physicochemical properties
- Melting point
- 110 · 110-115 °C (lit.)
- Boiling point
- 195 °C · 195°C 55mm
- Density
- 1.1118 · 1.1118 (rough estimate)
- refractive index
- 1.534 · 1.5340 (estimate)
- Flash point
- 205 °C · 205 °C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 2 O: · H2O: soluble50mg/mL, opaque (brown to very dark brown)
- form
- Solid
- pka
- 6.78 · 6.78±0.36(Predicted)
- color
- Very Dark Brown
- Water Solubility
- 100 g/L · 100 g/L (20 ºC)
- Sensitive
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
Danger
H301 (15.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (15.2%)
Safety data
- F
- 9
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- US7548000
- ridadr
- UN 2811
- hs_code
- 29333999
- risk_code
- 22-36/37/38-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36/37-45-37/39-28A-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
Chemistry & industry
Applications
Uses2,3-Diaminopyridine was used in the synthesis of 2,3-diaminopyridinium-4-hydroxybenzoate1. It was used as internal standard in analysis of poly(amidoamine)dendrimers having different terminal functionalities by capillary electrophoresis. It was used as reagent in synthesis of imidazopyridines and organometallic complexes.
General Description2,3-Diaminopyridine forms the bis-condensed Schiff base with salicylaldehyde. It forms charge transfer complex with tetrachloro-p-benzoquinone and tetracyanoethylene.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
165 records
Compound notes
Loading…