3,5-Dichloro-2,6-difluoropyridine

HCID 643277CAS 698-51-1

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1nc(F)c(Cl)cc1Cl
InChIKey: AYTUSKIZXVPKBR-UHFFFAOYSA-N
Molecular formula: C5HCl2F2N
Average molar mass: 183.97 g/mol
Monoisotopic mass: 182.9454107

Names & identifiers

Preferred name: 3,5-Dichloro-2,6-difluoropyridine
IUPAC: 3,5-dichloro-2,6-difluoropyridine
English name: 3,5-Dichloro-2,6-difluoropyridine
Molecular formula: C5HCl2F2N
Molecular weight: 183.97

Names & synonyms

3,5-dichloro-2,6-difluoropyridine698-51-1pyridine, 3,5-dichloro-2,6-difluoro-DTXSID90349137RefChem:91458DTXCID50300209962-496-3InChI=1/C5HCl2F2N/c6-2-1-3(7)5(9)10-4(2)8/h13,5-DICHLORO-2,6-DIFLUORO-PYRIDINEC5HCl2F2NMFCD03001157SCHEMBL1361208

Show more names

D2123,5-Dichloro-2,6-difluoropyridine98%3,5-Dichloro-2,6-difluoropyridine 98%3,5-DICHLORO-2,6-DIFLUOROPYRIDINE ISO 9001：2015 REACH

SCHEMBL8114322AYTUSKIZXVPKBR-UHFFFAOYSA-NSBB090108AKOS005063476DS-5140SB52337DA-19511CS-0092879

Database identifiers

CAS: 698-51-1
PubChem CID: 643277
DTXSID: DTXSID90349137
EC Number: 962-496-3
Nikkaji: J966.799G

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 112

Physicochemical properties

Melting point: 45 · 45-46 °C
Boiling point: 169 °C · 169 °C
Density: 1.6 · 1.600±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -4.2 · -4.20±0.10(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 330 · H330-H301-H315-H319
Precautionary statements: 273 · P273-P260-P270-P271-P264-P280-P284-P302+P352-P391-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P310-P403+P233-P405-P501
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；Aquatic Chronic 2 (100%)

Safety data

hs_code: 2933399990
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS06
safety_code: 26-36/37/39
Hazard statements: H330-H301-H315-H319
Precautionary statements: P273-P260-P270-P271-P264-P280-P284-P302+P352-P391-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P310-P403+P233-P405-P501