3,5-Dichloropyridine
Basic information
- CAS
2457-47-8- Standard SMILES
Clc1cncc(Cl)c1- InChIKey
WPGHPGAUFIJVJF-UHFFFAOYSA-N- Molecular formula
- C5H3Cl2N
- Average molar mass
- 147.99 g/mol
- Monoisotopic mass
- 146.9642545
Names & identifiers
- Preferred name
- 3,5-Dichloropyridine
- IUPAC
- 3,5-dichloropyridine
- English name
- 3,5-Dichloropyridine
- Molecular formula
- C5H3Cl2N
- Molecular weight
- 147.99
Names & synonyms
3,5-DICHLOROPYRIDINEPyridine, 3,5-dichloro-CCRIS 1719EINECS 219-537-9D9K92ASQ4DNSC 60546BRN 0001973NSC-605465-20-05-00417 (Beilstein Handbook Reference)DTXSID60179307Pyridine, 3,5dichloroRefChem:91493
Show more names
3,5-CHLOROPYRIDINE3,5-dichloro-pyridin3.5-Dichloropryidine3,5-DichloripyridineDichloropyridine,98%3,5-Dichloroypyridine3,5-Dichloropyridine,97%
DTXCID50101798219-537-9InChI=1/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/h1-3WPGHPGAUFIJVJF-UHFFFAOYSA-N2457-47-8Etoricoxib Impurity 50MFCD00006376WLN: T6NJ CG EG
Database identifiers
- CAS
2457-47-8- PubChem CID
- 17153
- DTXSID
DTXSID60179307- UNII
- D9K92ASQ4D
- EC Number
- 219-537-9
- Nikkaji
- J51.305I
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 68.8
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP2.56
Vapor Pressure0.77 [mmHg]
Physical DescriptionWhite crystalline powder with an unpleasant odor; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 65 · 65-67 °C (lit.)
- Boiling point
- 178 °C · 178 °C
- Density
- 1.39 · 1.39
- Flash point
- 110 °C · >110°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform, Ethyl Acetate
- form
- Solid
- pka
- 0.32 · 0.32±0.10(Predicted)
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
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryCauses somnolence and fatty liver degeneration in intraperitoneal lethal-dose studies of mice (LD50 = 1,180 mg/kg); [RTECS] A skin and strong eye irritant; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See 3-Chloropyridine.
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- US8575000
- ridadr
- UN2811
- hs_code
- 2933399090
- risk_code
- 22-37/38-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
Chemistry & industry
Applications
Uses3,5-Dichloropyridine (cas# 2457-47-8) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Related reactions
88 records
Compound notes
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