CAS 66548-63-8 3-Chloro-6-[3-(trifluoromethyl)phenyl]pyridazine (HCID 12449552)

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Basic information

CAS: 66548-63-8
Standard SMILES: FC(F)(F)c1cccc(-c2ccc(Cl)nn2)c1
InChIKey: TVWOBKTURBXCNX-UHFFFAOYSA-N
Molecular formula: C11H6ClF3N2
Average molar mass: 258.62 g/mol
Monoisotopic mass: 258.01716053

Names & identifiers

Preferred name: 3-Chloro-6-[3-(trifluoromethyl)phenyl]pyridazine
IUPAC: 3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazine
English name: 3-Chloro-6-(3-trifluoromethyl-phenyl)-pyridazine
Molecular formula: C11H6ClF3N2
Molecular weight: 258.63

Names & synonyms

3-chloro-6-[3-(trifluoromethyl)phenyl]pyridazine3-chloro-6-(3-(trifluoromethyl)phenyl)pyridazinePyridazine, 3-chloro-6-[3-(trifluoromethyl)phenyl]-Pyridazine, 3-chloro-6-(3-(trifluoromethyl)phenyl)-RefChem:500241853-084-366548-63-8MFCD12439035SCHEMBL3970891DTXSID401225609RCA54863AKOS009606769

Show more names

6-(α,α,α-trifluoro-m-tolyl)-3-chloropyridazine3-Chloro-6-(3-trifluoromethyl-phenyl)-pyridazine6-chloro-3-(3'-trifluoromethyl)phenyl pyridazine

SY143769DB-357022CS-02232183-chloro-6-(3-trifluoromethylphenyl)pyridazineEN300-114380G22172F1967-0399Z432063448

Database identifiers

CAS: 66548-63-8
PubChem CID: 12449552
DTXSID: DTXSID401225609
EC Number: 853-084-3

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 260

Physicochemical properties

Melting point: 131 · 131-133 °C(Solv: methanol (67-56-1))
Boiling point: 373.3 · 373.3±42.0 °C(Predicted)
Density: 1.385 · 1.385±0.06 g/cm3(Predicted)
pka: 0.04 · 0.04±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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%)

Safety data

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