Pyridine-2-acetonitrile

HCID 75959
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Basic information

CAS
2739-97-1
Standard SMILES
N#CCc1ccccn1
InChIKey
UKVQBONVSSLJBB-UHFFFAOYSA-N
Molecular formula
C7H6N2
Average molar mass
118.14 g/mol
Monoisotopic mass
118.05309819

Names & identifiers

Preferred name
Pyridine-2-acetonitrile
IUPAC
2-pyridin-2-ylacetonitrile
English name
2-Pyridylacetonitrile
Molecular formula
C7H6N2
Molecular weight
118.14

Names & synonyms

2739-97-12-PyridineacetonitrilePyridine-2-acetonitrileEINECS 220-364-6DTXSID30181816RefChem:870725DTXCID70104307220-364-62-Pyridylacetonitrile2-(pyridin-2-yl)acetonitrile2-(2-pyridyl)acetonitrile2-pyridin-2-ylacetonitrile
Show more names
2-PyridoacetonitrilePyridin-2-ylacetonitrile2-PyridylacetonitrilPyridyl-2-acetonitrile2-(CYANOMETHYL)PYRIDINE2-Pyridinylacetonitrile
MFCD00006346(pyridin-2-yl)acetonitrilepyridine-acetonitrile2-(2-pyridyl)ethanenitrilepyridineacetonitrile2-pyridylactonitrile2-pyridyl acetonitrilepyrid-2-ylacetonitrile

Database identifiers

CAS
2739-97-1
PubChem CID
75959
DTXSID
DTXSID30181816
ChEMBL
CHEMBL4630648
EC Number
220-364-6
Nikkaji
J208.906H

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
36.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Melting point
23 · 23-25°C
Boiling point
76 · 76-77 °C/2 mmHg (lit.)
Density
1.059 g/mL · 1.059 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.525(lit.)
Flash point
201 °F · 201 °F
storage temp.
2 · 2-8°C, stored under nitrogen

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (89.8%): 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 17-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19930
Hazard Classes and CategoriesAcute Tox. 3 (89.8%)

Safety data

F
2-8-9
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 3276 6.1/PG 3
hs_code
29333990
risk_code
36/37/38

Chemistry & industry

Applications · 2 items

Uses2-Pyridineacetonitrile is used as a pharmaceutical intermediate. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

General Description2-Pyridylacetonitrile undergoes coupling with aromatic diazonium salts to yield arylhydrazones. It also undergoes condensation with active malonic esters to yield 1-cyano-3-substituted 2-hydroxyquinolizin-4-ones. Acylation reaction of 2-pyridylacetonitrile with hot acetic anhydride has been reported.

Upstream & downstream products

Downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

61 records
New reaction record

Compound notes

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