CAS 4318-76-7 2,5-Pyridinediamine (HCID 20314)

Names & identifiers

Preferred name: 2,5-Pyridinediamine
IUPAC: pyridine-2,5-diamine
English name: 2,5-Diaminopyridine
Molecular formula: C5H7N3
Molecular weight: 109.13

Names & synonyms

2,5-DIAMINOPYRIDINE4318-76-7PYRIDINE-2,5-DIAMINE2,5-PyridinediaminePyridine, 2,5-diamino-H6OLZ060HINSC 175741BRN 0108741NSC-175741J51.294JDTXSID201957655-22-11-00252 (Beilstein Handbook Reference)

Show more names

TIMTEC-BB SBB0043422,5-diamino-pyridinFampridine Impurity 2872,5-Diaminopyridine,98+%2,5-Diaminopyridine, 97+%Pyridine-2,5-diamine - [D4727]2,5-Diaminopyridine ISO 9001：2015 REACH

RefChem:4450452,5-Pyridinediamine (9CI)DTXCID60118256626-246-4MFCD00129023Diaminopyridine (VAN)UNII-H6OLZ060HIPyridine,5-diamino-

Database identifiers

CAS: 4318-76-7
PubChem CID: 20314
DTXSID: DTXSID20195765
UNII: H6OLZ060HI
EC Number: 626-246-4
Nikkaji: J51.294J

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 64.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.1

Physicochemical properties

Melting point: 110.3 °C · 110.3°C
Boiling point: 180 °C/12 · 180 °C/12 mmHg (lit.)
Density: 1.1118 · 1.1118 (rough estimate)
refractive index: 1.534 · 1.5340 (estimate)
Flash point: 180 °C/12mm · 180°C/12mm
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 6.48 · 6.48(at 20℃)
Appearance: Brown to black Solid
InChI: 1S/C5H7N3/c6-4-1-2-5(7)8-3-4/h1-3H,6H2,(H2,7,8)
InChIKey: MIROPXUFDXCYLG-UHFFFAOYSA-N
SMILES: Nc1ccc(N)nc1
CAS DataBase Reference: 4318 · 4318-76-7(CAS DataBase Reference)
FDA UNII: 6 OLZ060HI · H6OLZ060HI
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 2671 · UN2671
WGK Germany: 3 · 3
RTECS: 7555000 · US7555000
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29333999 · 29333999
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (13%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (13%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: US7555000
ridadr: UN2671
hs_code: 29333999
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: II
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2,5-Diaminopyridine may be used in the preparation of 6-acetamidoimidazo[ 1,2-a]pyridine. It may be used in the preparation of organo-soluble polyimides by reacting with different dianhydride monomers. These polyimides form the precursor for preparing novel polyimide-silica composites.

General Description2,5-Diaminopyridine is a disubstituted pyridine that can be prepared by the reduction of 5-nitro-2-aminopyridine using 10%Pd/C.