CAS 1735-84-8 3-Chloro-2,4,5,6-tetrafluoropyridine (HCID 137183)

Names & identifiers

Preferred name: 3-Chloro-2,4,5,6-tetrafluoropyridine
IUPAC: 3-chloro-2,4,5,6-tetrafluoropyridine
English name: 3-Chloro-2,4,5,6-tetrafluoropyridine
Molecular formula: C5ClF4N
Molecular weight: 185.51

Names & synonyms

3-Chloro-2,4,5,6-tetrafluoropyridineRefChem:93375629-102-91735-84-8Pyridine, 3-chloro-2,4,5,6-tetrafluoro-C5ClF4NMFCD000106243-chlorotetrafluoropyridine2-CHLORO-2,4,5,6-TETRAFLUOROPYRIDINESCHEMBL502245AC8881DS-5211

Show more names

3-Chloroperfluoropyridine.3-CHLORO-TETRAFLUOROPYRIDINE2,3,4,6-Tetrafluoro-5-chloropyridine2,4,5,6-TETRAFLUORO-3-CHLOROPYRIDINEPyridine,3-chloro-2,4,5,6-tetrafluoro-3-Chloro-2,4,5,6-tetrafluoropyridine >3-Chloro-2,4,5,6-tetrafluoropyridine 98%3-CHLORO-2,4,5,6-TETRAFLUOROPYRIDINE, 98 %

AC-24490SY048750AM846103-chloro-2,4,5,6-tetrafluoro-pyridineA3836FT-06153043-chloranyl-2,4,5,6-tetrakis(fluoranyl)pyridineA811531

Database identifiers

CAS: 1735-84-8
PubChem CID: 137183
DTXSID: DTXSID20169628
EC Number: 629-102-9
Nikkaji: J127.322A

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 146

Physicochemical properties

Boiling point: 118 · 118-121 °C (lit.)
Density: 1.609 g/mL · 1.609 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.436(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: clear liquid
pka: -11.94 · -11.94±0.28(Predicted)
color: Colorless to Almost colorless
Specific Gravity: 1.641 · 1.641
BRN: 475873 · 475873
InChI: InChI=1S/C5ClF4N/c6-1-2(7)3(8)5(10)11-4(1)9
InChIKey: UXUZMYHSICIOQT-UHFFFAOYSA-N
SMILES: C1(F)=NC(F)=C(F)C(F)=C1Cl
CAS DataBase Reference: 1735 · 1735-84-8(CAS DataBase Reference)
NIST Chemistry Reference: 3 · Pyridine, 3-chloro-2,4,5,6-tetrafluoro-(1735-84-8)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Warning
Hazard statements: 302 · H302-H312-H314-H318-H332-H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P303+P361+P353-P310
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 · 26-36-37/39
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 8 · 8
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 · 5 items

Danger

H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (10.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (89.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (10.6%)；Acute Tox. 4 (10.6%)；Skin Corr. 1B (10.6%)；Skin Irrit. 2 (89.4%)；Eye Irrit. 2 (89.4%)；Acute Tox. 4 (10.6%)；STOT SE 3 (87.2%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29333990
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07,GHS05
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-37/39
hazard_class: 8
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H312-H314-H318-H332-H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P303+P361+P353-P310

Chemistry & industry

Applications · 3 items

Uses3-Chloro-2,4,5,6-Tetrafluoropyridine is an organic intermediate.

Uses3-Chloro-2,4,5,6-tetrafluoropyridine (3-chlorotetrafluoropyridine) is a fluoropyridine derivative. Its quantum mechanical calculations of energies, geometries and vibrational wave numbers have been performed by DFT level of theory. The interpretation of its FT-IR and FT-Raman spectra have been reported. It forms corresponding organo-zinc compound by reacting with zinc. 3-Chlorotetrafluoropyridine reacts with tris(diethylamino)phosphine (P(NEt)3) in the presence of a proton donor to form product with fluorine replaced by hydrogen at position 4.

General Description3-Chloro-2,4,5,6-tetrafluoropyridine (3-chlorotetrafluoropyridine) is a fluoropyridine derivative. Its quantum mechanical calculations of energies, geometries and vibrational wave numbers have been performed by DFT level of theory. The interpretation of its FT-IR and FT-Raman spectra have been reported. It forms corresponding organo-zinc compound by reacting with zinc. 3-Chlorotetrafluoropyridine reacts with tris(diethylamino)phosphine (P(NEt)3) in the presence of a proton donor to form product with fluorine replaced by hydrogen at position 4.