Basic information
- CAS
2893-33-6- Standard SMILES
N#Cc1cccc(C#N)n1- InChIKey
XNPMXMIWHVZGMJ-UHFFFAOYSA-N- Molecular formula
- C7H3N3
- Average molar mass
- 129.12 g/mol
- Monoisotopic mass
- 129.03269711
Names & identifiers
- Preferred name
- Pyridine-2,6-dicarbonitrile
- IUPAC
- pyridine-2,6-dicarbonitrile
- English name
- 2,6-Pyridinedicarbonitrile
- Molecular formula
- C7H3N3
- Molecular weight
- 129.12
Names & synonyms
Pyridine-2,6-dicarbonitrile2,6-Pyridinedicarbonitrile2893-33-6XNPMXMIWHVZGMJ-UHFFFAOYSA-EINECS 220-766-1DTXSID50183130RefChem:870722DTXCID60105621220-766-1InChI=1/C7H3N3/c8-4-6-2-1-3-7(5-9)10-6/h1-3H2,6-dicyanopyridineMFCD00129021
Show more names
26DCPYDipicolinonitrile2,6-DICYANO PYRIDINEpyridine-2,6-dinitrile6-Pyridinedicarbonitrile6-Isocyanopicolinonitrile2,6-Pyridinedicarbonitrle2,6-Pyridine dimethonitrile
SCHEMBL995983CHEMBL3088462,6-Pyridinedicarbonitrile, 97%BDBM50403308STK279684AKOS005426277MS-2145EN300-37495
Database identifiers
- CAS
2893-33-6- PubChem CID
- 76164
- DTXSID
DTXSID50183130- ChEMBL
CHEMBL308846- EC Number
- 220-766-1
- Nikkaji
- J27.999D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 123 · 123-127 °C (lit.)
- Boiling point
- 290 · 290.0±20.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -5.87 · -5.87±0.10(Predicted)
- form
- solid
- color
- Off-white to light brown
- InChI
- InChI=1S/C7H3N3/c8-4-6-2-1-3-7(5-9)10-6/h1-3H
- InChIKey
- XNPMXMIWHVZGMJ-UHFFFAOYSA-N
- SMILES
- C1(C#N)=NC(C#N)=CC=C1
- CAS DataBase Reference
- 2893 · 2893-33-6
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
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 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses2,6-Pyridinedicarbonitrile may be used to synthesize bis-tetrazoles and pyridine-based tridentate ligand 2,6-bis(α-aminoisopropyl)pyridine.
General Description2,6-Pyridinedicarbonitrile is a heterocyclic dinitrile. Its biotransformation by Rhodococcus erythropolis A4 to 6-cyanopyridine-2-carboxamide has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers103 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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