CAS 81269-96-7 4-Chloro-2,6-bis(trifluoromethyl)pyridine (HCID 12945236)

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Basic information

CAS: 81269-96-7
Standard SMILES: FC(F)(F)c1cc(Cl)cc(C(F)(F)F)n1
InChIKey: MSOZLDZXHTVESQ-UHFFFAOYSA-N
Molecular formula: C7H2ClF6N
Average molar mass: 249.54 g/mol
Monoisotopic mass: 248.9779957

Names & identifiers

Preferred name: 4-Chloro-2,6-bis(trifluoromethyl)pyridine
IUPAC: 4-chloro-2,6-bis(trifluoromethyl)pyridine
English name: 4-Chloro-2,6-bis(trifluoromethyl)pyridine)
Molecular formula: C7H2ClF6N
Molecular weight: 249.54

Names & synonyms

4-Chloro-2,6-bis(trifluoromethyl)pyridine81269-96-7DTXSID20513581RefChem:291383DTXCID80464388873-310-42,6-Bis(trifluoromethyl)-4-chloropyridineMFCD000825584-CHLORO-2,6-BIS(TRIFLUOROMETHYL)PYRIDINE)SCHEMBL1965945AKOS005258900AB03097

Show more names

Pyridine, 4-chloro-2,6-bis(trifluoromethyl)-

CS-0314534G28837EN300-622548510Z-7005

Database identifiers

CAS: 81269-96-7
PubChem CID: 12945236
DTXSID: DTXSID20513581
EC Number: 873-310-4

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 203

Physicochemical properties

Boiling point: 115.8 · 115.8±35.0 °C(Predicted)
Density: 1.543 · 1.543±0.06 g/cm3(Predicted)
pka: -5.76 · -5.76±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 312 · H312-H315-H302-H319-H335-H332
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H312-H315-H302-H319-H335-H332
Precautionary statements: P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501