Basic information
- Standard SMILES
Nc1cc(Cl)nc(Cl)c1- InChIKey
WAEZOSSWRXDWAX-UHFFFAOYSA-N- Molecular formula
- C5H4Cl2N2
- Average molar mass
- 163 g/mol
- Monoisotopic mass
- 161.97515349
Names & identifiers
- Preferred name
- 4-Amino-2,6-dichloropyridine
- IUPAC
- 2,6-dichloropyridin-4-amine
- English name
- 4-Amino-2,6-dichloropyridine
- Molecular formula
- C5H4Cl2N2
- Molecular weight
- 163
Names & synonyms
4-Amino-2,6-dichloropyridine2587-02-2DTXSID80180511NSC 136573RefChem:97685DTXCID20103002629-221-62,6-dichloropyridin-4-amine2,6-Dichloro-4-aminopyridineMFCD000528324-Pyridinamine, 2,6-dichloro-2,6-DICHLORO-4-PYRIDINAMINE
Show more names
2,6-DICHLORO-PYRIDIN-4-YLAMINE2,6-Dichloropyridine-4-amine0/2/87AURORA KA-30224-Amino-2,6-dichL6-Dichloro-4-pyridinamine
Pyridine, 4-amino-2,6-dichloro-2,6-dichloro-4-amino pyridineNSC136573NSC-136573AKOS005257877HY-W008199AB02218PS-4499
Database identifiers
- CAS
2587-02-2- PubChem CID
- 137652
- DTXSID
DTXSID80180511- UNII
- H9WC4WGD4V
- EC Number
- 629-221-6
- Nikkaji
- J80.522J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89
Physicochemical properties
- Melting point
- 169 · 169-173 °C (lit.)
- Boiling point
- 336.7 · 336.7±37.0 °C(Predicted)
- Density
- 1.497 · 1.497±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Powder
- pka
- 0.49 · 0.49±0.50(Predicted)
- color
- White to buff
- BRN
- 114351 · 114351
- InChI
- InChI=1S/C5H4Cl2N2/c6-4-1-3(8)2-5(7)9-4/h1-2H,(H2,8,9)
- InChIKey
- WAEZOSSWRXDWAX-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(Cl)=CC(N)=C1
- CAS DataBase Reference
- 2587 · 2587-02-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 4 · Pyridine, 4-amino-2,6-dichloro-(2587-02-2)
- 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
- 29333990 · 29333990
- 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 67 reports by companies from 10 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
- 29333990
- 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
Uses4-Amino-2,6-dichloropyridine is a compound useful in organic synthesis used in the synthesis of Rho kinase inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
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Related reactions
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