CAS 370879-86-0 3-Bromo-5-(2,2,2-trifluoroethoxy)pyridine (HCID 22570352)

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Basic information

CAS: 370879-86-0
Standard SMILES: FC(F)(F)COc1cncc(Br)c1
InChIKey: ZMZNDPYHFGGPTR-UHFFFAOYSA-N
Molecular formula: C7H5BrF3NO
Average molar mass: 256.02 g/mol
Monoisotopic mass: 254.95066

Names & identifiers

Preferred name: 3-Bromo-5-(2,2,2-trifluoroethoxy)pyridine
IUPAC: 3-bromo-5-(2,2,2-trifluoroethoxy)pyridine
English name: 3-bromo-5-(2,2,2-trifluoroethoxy)pyridine
Molecular formula: C7H5BrF3NO
Molecular weight: 256.02

Names & synonyms

3-bromo-5-(2,2,2-trifluoroethoxy)pyridine370879-86-0RefChem:498772871-751-7MFCD19674073SCHEMBL651977VPA87986AKOS013527462PB42666PS-15832CS-03094803-Bromo-5-(2,2,2-trifluoro-ethoxy)-pyridine

Show more names

Pyridine, 3-bromo-5-(2,2,2-trifluoroethoxy)-

EN300-651576P19129F719001

Database identifiers

CAS: 370879-86-0
PubChem CID: 22570352
EC Number: 871-751-7

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 164

Physicochemical properties

Boiling point: 214.2 · 214.2±40.0 °C(Predicted)
Density: 1.643 · 1.643±0.06 g/cm3(Predicted)
pka: 1.71 · 1.71±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H302-H335-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H302-H335-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P