Basic information
- CAS
16110-09-1- Standard SMILES
Clc1ccc(Cl)nc1- InChIKey
GCTFDMFLLBCLPF-UHFFFAOYSA-N- Molecular formula
- C5H3Cl2N
- Average molar mass
- 147.99 g/mol
- Monoisotopic mass
- 146.96425446
Names & identifiers
- Preferred name
- 2,5-Dichloropyridine
- IUPAC
- 2,5-dichloropyridine
- English name
- 2,5-Dichloropyridine
- Molecular formula
- C5H3Cl2N
- Molecular weight
- 147.99
Names & synonyms
2,5-DICHLOROPYRIDINE16110-09-1Pyridine, 2,5-dichloro-CCRIS 1718NSC 528661EINECS 240-278-2BRN 0108886DTXSID7051765FZ623S5E22NSC-528661RefChem:444347DTXCID0030320
Show more names
Dichloropyridine4-Aminophenylacetamide2,5- twochlorine pyridine5-Dichloropyridine2,5-Chloro pyridine2,5-DICHLORPYRIDINE2,5-dichloro-pyridin2,5-Dichiloropyridine2,5-Dichloropyridine97%
240-278-2MFCD000062392,5-Dichloro-pyridine2,5 Dichloropyridine2,5 -dichloropyridine2-chloro-5-chloropyridineWLN: T6NJ BG EG2,5-Dichloropyridine, 98%
Database identifiers
- CAS
16110-09-1- PubChem CID
- 27685
- DTXSID
DTXSID7051765- UNII
- FZ623S5E22
- EC Number
- 240-278-2
- Nikkaji
- J32.651H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.8
Physicochemical properties
- Melting point
- 59 · 59-62 °C (lit.)
- Boiling point
- 190 · 190-191 °C
- Density
- 1.5159 · 1.5159 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- Flash point
- 112 °C · 112 °C
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -2.25 · -2.25±0.10(Predicted)
- form
- Crystalline Solid
- color
- White to slightly yellow
- Water Solubility
- insoluble
- BRN
- 108886 · 108886
- InChI
- InChI=1S/C5H3Cl2N/c6-4-1-2-5(7)8-3-4/h1-3H
- InChIKey
- GCTFDMFLLBCLPF-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C(Cl)C=C1
- CAS DataBase Reference
- 16110 · 16110-09-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 623 S5E22 · FZ623S5E22
- 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,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-37/39-36
- RIDADR
- 2811 · UN2811
- WGK Germany
- 3 · 3
- RTECS
- 8225000 · US8225000
- Hazard Note
- Harmful
- 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
H302 (34.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 63 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (34.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- US8225000
- ridadr
- UN2811
- hs_code
- 29333990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Harmful
- safety_code
- 26-37/39-36
- hazard_class
- 6.1
- 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
Uses2,5-Dichloropyridine is a reagent used in chemical synthesis. It has been used to synthesize 4-benzodiazepine-2,5 diones as Hdm2 antagonists and inhibitors of ERK protein kinase.
Uses2,5-Dichloropyridine was used in the synthesis of 6-halo-pyridin-3-yl boronic acids and esters. It undergoes cross-coupling reaction with arylboronic acids in the presence of [1,4-bis-(diphenylphosphine)butane]palladium (II) dichloride as catalyst.
General Description2,5-Dichloropyridine undergoes cross-coupling reaction with arylboronic acids in the presence of [1,4-bis-(diphenylphosphine)butane]palladium (II) dichloride as catalyst.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
166 records
Compound notes
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