CAS 4214-73-7 2-Amino-5-cyanopyridine (HCID 818260)

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Basic information

CAS: 4214-73-7
Standard SMILES: N#Cc1ccc(N)nc1
InChIKey: KDVBYUUGYXUXNL-UHFFFAOYSA-N
Molecular formula: C6H5N3
Average molar mass: 119.12 g/mol
Monoisotopic mass: 119.04834716

Names & identifiers

Preferred name: 2-Amino-5-cyanopyridine
IUPAC: 6-aminopyridine-3-carbonitrile
English name: 2-Amino-5-cyanopyridine
Molecular formula: C6H5N3
Molecular weight: 119.12

Names & synonyms

2-Amino-5-cyanopyridine4214-73-7DTXSID90355930RefChem:85266DTXCID10306989629-267-76-aminopyridine-3-carbonitrile6-Aminonicotinonitrile6-Amino-3-pyridinecarbonitrile6-amino-nicotinonitrileMFCD001289022-amino-5-cyano-pyridine

Show more names

TIMTEC-BB SBB0042935-Cyano-2-pyridinamine6-Nitrile-nicotinaMide6-Amino-3-Cyano Pyridine6-Aminonicotinonitrile 97%2-Amino-5-cyanopyridine,98%2-Amino-5-cyanopyridine >2-Amino-5-cyanopyridine ,97%

SCHEMBL8988445AF-399/409630746-Amino-3-pyridinecarbonitrile, 97%BP-13086EN300-49194Z2952033626-amino-3-cyanopyridineAM20051170

Database identifiers

CAS: 4214-73-7
PubChem CID: 818260
DTXSID: DTXSID90355930
EC Number: 629-267-7
Nikkaji: J1.884.459A

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 62.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 134

Physicochemical properties

Melting point: 159 · 159-163 °C(lit.)
Boiling point: 240 · 240-250°C 15mm
Density: 1.23 · 1.23±0.1 g/cm3(Predicted)
Flash point: 240 · 240-250°C/15mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: Crystalline Powder
pka: 3.48 · 3.48±0.13(Predicted)
color: Brown
Water Solubility: Soluble in methanol. Insoluble in water.
BRN: 113876 · 113876
InChI: InChI=1S/C6H5N3/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,(H2,8,9)
InChIKey: KDVBYUUGYXUXNL-UHFFFAOYSA-N
SMILES: C1=NC(N)=CC=C1C#N
CAS DataBase Reference: 4214 · 4214-73-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (96.2%): 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, P317, P321, P330, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (96.2%)

Safety data

F: 10-23
PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29333990
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 36-26
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301-H312+H332
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 Inhalation

Chemistry & industry

Applications

Uses2-Amino-5-cyanopyridine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.