Basic information
- CAS
55338-73-3- Standard SMILES
N#Cc1ccc(N)cn1- InChIKey
IFOXWHQFTSCNQB-UHFFFAOYSA-N- Molecular formula
- C6H5N3
- Average molar mass
- 119.12 g/mol
- Monoisotopic mass
- 119.04834716
Names & identifiers
- Preferred name
- 5-Aminopyridine-2-carbonitrile
- IUPAC
- 5-aminopyridine-2-carbonitrile
- English name
- 3-Amino-6-cyanopyridine
- Molecular formula
- C6H5N3
- Molecular weight
- 119.12
Names & synonyms
5-aminopyridine-2-carbonitrileRefChem:532456677-663-33-Amino-6-cyanopyridine55338-73-35-aminopicolinonitrile5-Amino-2-cyanopyridine5-Amino-2-pyridinecarbonitrile5-Amino-2-cyano-pyridineMFCD030939562-cyano-5-aminopyridine2-Pyridinecarbonitrile, 5-amino-
Show more names
5-Amino-2-pyridine nitrileA**5-AMINO-2-CYANOPYRIDINE5-Methyl pyridin-3-methanol5-Aminopyridin-2-carbonitrile3-AMino-6-pyridinecarbonitrile
5-amino-2-cyano pyridineSCHEMBL42349SCHEMBL2643595DTXSID30397657IFOXWHQFTSCNQB-UHFFFAOYSA-NSBB0556145-Amino-2-pyridinecarbonitrile, 96%AKOS005137887
Database identifiers
- CAS
55338-73-3- PubChem CID
- 3871395
- DTXSID
DTXSID30397657- EC Number
- 677-663-3
- Nikkaji
- J3.747.752D
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 148 · 148-152 °C(lit.)
- Boiling point
- 368.2 · 368.2±27.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 0.61 · 0.61±0.10(Predicted)
- Appearance
- Light yellow to brown Solid
- InChI
- InChI=1S/C6H5N3/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,8H2
- InChIKey
- IFOXWHQFTSCNQB-UHFFFAOYSA-N
- SMILES
- C1(C#N)=NC=C(N)C=C1
- CAS DataBase Reference
- 55338 · 55338-73-3(CAS DataBase Reference)
- 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
Danger
H301 (15.2%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, 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 (15.2%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 3439
- hs_code
- 2933399990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Limited Quantities
Chemistry & industry
Applications
Uses5-Amino-2-pyridinecarbonitrile (5-Amino-2-cyanopyridine) may be used to synthesize 5-amino-2-pyridine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
73 records
Compound notes
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