Basic information
- CAS
2402-77-9- Standard SMILES
Clc1cccnc1Cl- InChIKey
MAKFMOSBBNKPMS-UHFFFAOYSA-N- Molecular formula
- C5H3Cl2N
- Average molar mass
- 147.99 g/mol
- Monoisotopic mass
- 146.96425446
Overview
structure in first source
Names & identifiers
- Preferred name
- 2,3-Dichloropyridine
- IUPAC
- 2,3-dichloropyridine
- English name
- 2,3-Dichloropyridine
- Molecular formula
- C5H3Cl2N
- Molecular weight
- 147.99
Names & synonyms
2,3-DICHLOROPYRIDINE2402-77-9Pyridine, 2,3-dichloro-G8S8JY2HE2DTXSID7051894NSC-298535RefChem:81619DTXCID5030456219-281-8MFCD00006229dichloropyridineBRN 0109811
Show more names
3-dichloropydine2,3-dichloropydine3-Dichloropyridine2,3-dichloro-pyridin2,3-Dichloropyridine>2,3-Dichloropyridine,99%Rp-8-Br-PET-cGMPS sodium2,3- twochlorine pyridine
2,3-Dichloropyridine, 99%PYRIDINE,2,3-DICHLOROEC 219-281-82,3-Dichloropyridine(Monolabeled)STR004832,3-dichloro-pyridineAB00641AC-5932
Database identifiers
- CAS
2402-77-9- PubChem CID
- 16988
- DTXSID
DTXSID7051894- ChEMBL
CHEMBL4635484- UNII
- G8S8JY2HE2
- EC Number
- 219-281-8
- Nikkaji
- J51.303B
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 64 · 64-67 °C (lit.)
- Boiling point
- 242.42 °C · 242.42°C (rough estimate)
- Density
- 1.5159 · 1.5159 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Crystalline Powder
- pka
- -0.63 · -0.63±0.10(Predicted)
- color
- White to slightly beige
- Water Solubility
- slightly soluble
- BRN
- 109811 · 109811
- InChI
- InChI=1S/C5H3Cl2N/c6-4-2-1-3-8-5(4)7/h1-3H
- InChIKey
- MAKFMOSBBNKPMS-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=CC=C1Cl
- CAS DataBase Reference
- 2402 · 2402-77-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
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 111 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 24-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12679
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- US8050000
- ridadr
- UN2811
- hs_code
- 29333999
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36-37/39
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Applications
Uses2,3-Dichloropyridine is used as a reagent for the preparation of substituted 3-(5-membered heterocycle-carboxamido)pyridine derivatives for treatment of autoimmune and inflammatory diseases. Also in the synthesis, crystal structure and biological activity of novel anthranilic Diamide insecticide with propargyl ether.
Upstream & downstream products
Downstream products
Related reactions
347 records
Compound notes
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