3,5-Dichloropyridine

HCID 17153CAS 2457-47-8
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1cncc(Cl)c1
InChIKey
WPGHPGAUFIJVJF-UHFFFAOYSA-N
Molecular formula
C5H3Cl2N
Average molar mass
147.99 g/mol
Monoisotopic mass
146.96425446

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-60546DTXSID601793075-20-05-00417 (Beilstein Handbook Reference)Pyridine, 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-N2457-47-8MFCD00006376Etoricoxib Impurity 50NSC 60546;

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

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
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

Safety & regulation

GHS classification

GHS Classification · 4 items

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
29333990
risk_code
22-37/38-41-36/37/38

Chemistry & industry

Applications

Uses3,5-Dichloropyridine (cas# 2457-47-8) is a compound useful in organic synthesis.

Upstream & downstream products

Suppliers50 total

阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Related reactions

88 records
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Linked notes

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