Basic information
- CAS
30901-64-5- Standard SMILES
N#CC(c1ccccc1)c1ccccn1- InChIKey
CAXNYFPECZCGFK-UHFFFAOYSA-N- Molecular formula
- C13H10N2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.08439832
Names & identifiers
- Preferred name
- alpha-Phenyl-2-pyridineacetonitrile
- IUPAC
- 2-phenyl-2-pyridin-2-ylacetonitrile
- English name
- alpha-Phenyl-2-pyridineacetonitrile
- Molecular formula
- C13H10N2
- Molecular weight
- 194.24
Names & synonyms
5005-36-7alpha-Phenyl-2-pyridineacetonitrile2-Pyridylphenylacetonitrile75C8T53MRAalpha-Phenylpyridine-2-acetonitrileNSC-16276RefChem:1076553225-677-12-phenyl-2-(pyridin-2-yl)acetonitrilephenyl(pyridin-2-yl)acetonitrile2-phenyl-2-(2-pyridyl)acetonitrile2-phenyl-2-pyridin-2-ylacetonitrile
Show more names
PPANSSF1BXDC3VAMI-001NSC 16276PyronitrileDisopyramide Impurity DDisopyramide EP Impurity D1-(2-Pyridine)BenzylcyamidePhenylpyridile acetonitrile
Phenyl-2-pyridylacetonitrileMFCD00023497alpha-Phenyl-alpha-(2-Pyridyl)-acetonitrilealpha-Phenyl-alpha-(2-pyridyl)acetonitrile2-pyridylbenzyl cyanide2-Pyridineacetonitrile, a-phenyl-EINECS 225-677-12-Pyridineacetonitrile, .alpha.-phenyl-
Database identifiers
- CAS
30901-64-5、5005-36-7- PubChem CID
- 95510
- DTXSID
DTXSID50863480- UNII
- 75C8T53MRA
- EC Number
- 225-677-1、250-380-9
- Nikkaji
- J29.197H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 83 · 83-850C
- Boiling point
- 150 °C/2mmHg · 150°C/2mmHg(lit.)
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.18 · 4.18±0.10(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 5005 · 5005-36-7(CAS DataBase Reference)
- FDA UNII
- 75 C8T53MRA · 75C8T53MRA
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3439 · UN 3439 6.1/PG III
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 2933399990 · 2933399990
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 7% (3 of 43) of reports.
Danger
H301 (93%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 22-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16866
Hazard Classes and CategoriesAcute Tox. 3 (93%)
Safety data
- ridadr
- UN 3439 6.1/PG III
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H332
- REACH Registrations
- Active
- Precautionary statements
- P280
Chemistry & industry
Applications
UsesThe major metabolite of Antigastrin, a-Phenyl-a-(2-pyridyl)thioacetamide (SC 15396) and other thioamides
UsesThe major metabolite of Antigastrin, α-Phenyl-α-(2-pyridyl)thioacetamide (SC 15396) and other thioamides.
Upstream & downstream products
Downstream products
Suppliers1 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Related reactions
19 records
Compound notes
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