Basic information
- Standard SMILES
Nc1ccc(Cl)nc1- InChIKey
QAJYCQZQLVENRZ-UHFFFAOYSA-N- Molecular formula
- C5H5ClN2
- Average molar mass
- 128.56 g/mol
- Monoisotopic mass
- 128.01412584
Overview
3-Amino-6-chloropyridine is an aminopyridine.
Names & identifiers
- Preferred name
- 5-Amino-2-chloropyridine
- IUPAC
- 6-chloropyridin-3-amine
- English name
- 5-Amino-2-chloropyridine
- Molecular formula
- C5H5ClN2
- Molecular weight
- 128.56
Names & synonyms
5-Amino-2-chloropyridine5350-93-6NSC 81DTXSID40201716EINECS 226-322-3RefChem:532170DTXCID70124207226-322-36-chloropyridin-3-amine2-Chloro-5-aminopyridine3-Amino-6-chloropyridine3-Pyridinamine, 6-chloro-
Show more names
AMINO CHLOROPYRIDINETobrasix5-Amino-2-chLTIMTEC-BB SBB0042345-Amino-2-chlorpyridin2-Chloro-5-pyridinamine
MFCD000062436-Chloro-3-pyridinamine6-Chloro-pyridin-3-ylamine6-chloro-3-pyridylamine5-amino-2-chloro pyridineUNII-386QR22KDZ386QR22KDZNSC-81
Database identifiers
- CAS
5350-93-6- PubChem CID
- 79305
- DTXSID
DTXSID40201716- ChEBI
CHEBI:194601- UNII
- 386QR22KDZ
- EC Number
- 226-322-3
- Nikkaji
- J81.013D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.8
Physicochemical properties
- Melting point
- 81 · 81-83 °C(lit.)
- Boiling point
- 205.39 °C · 205.39°C (rough estimate)
- Density
- 1.2417 · 1.2417 (rough estimate)
- refractive index
- 1.511 · 1.5110 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- 1.94 · 1.94±0.10(Predicted)
- color
- White to Brown
- BRN
- 108891 · 108891
- InChI
- InChI=1S/C5H5ClN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
- InChIKey
- QAJYCQZQLVENRZ-UHFFFAOYSA-N
- SMILES
- C1=NC(Cl)=CC=C1N
- CAS DataBase Reference
- 5350 · 5350-93-6(CAS DataBase Reference)
- FDA UNII
- 386 QR22KDZ · 386QR22KDZ
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29333999 · 29333999
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29333999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses5-Amino-2-chloropyridine was used in the synthesis of [2H5]2-amino-l-methyl-6-phenylimidazo[4,5-b]pyridine. It was used in identification and evaluation of molecularly imprinted polymers for the selective removal of potentially genotoxic aminopyridine impurities from pharmaceuticals.
General Description5-Amino-2-chloropyridine undergoes Suzuki-Miyaura coupling with sterically hindered 2,6-dimethylphenylboronic acid. It undergoes facile temperature dependent displacement of chloride by bromide via Sandmeyer reaction to yield 2,5-dibromopyridine.
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: 3-Amino-6-chloropyridine is an aminopyridine.
Related reactions
217 records
Linked notes
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