4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol

HCID 155241
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Basic information

CAS
69045-85-8
Standard SMILES
Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIKey
LXXDBPUREVMTMI-UHFFFAOYSA-N
Molecular formula
C12H8F3NO2
Average molar mass
255.19 g/mol
Monoisotopic mass
255.05071298

Names & identifiers

Preferred name
4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
IUPAC
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenol
English name
4-{[5-(Trifluoromethyl)pyridin-2-yl]oxy}phenol
Molecular formula
C12H8F3NO2
Molecular weight
255.19

Names & synonyms

4-(5-trifluoromethyl-pyridin-2-yloxy)-phenol4-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]phenol4-((5-(Trifluoromethyl)-2-pyridinyl)oxy)phenolRefChem:514804854-811-769045-85-84-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenol4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenol4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenolMFCD00102509Phenol, 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-Phenol, 4-((5-(trifluoromethyl)-2-pyridinyl)oxy)-
Show more names
4-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]phenol2-(4-Hydroxyphenoxy)-5-(trifluoromethyl)pyridine4-(5-Trifluoromethyl-2-pyridyloxy)phenol4-(5-Trifluoromethylpyridin-2-yloxy)phenolMaybridge3_004426SCHEMBL906222Fluazifop-P-butyl metabolite 4SCHEMBL8576331SCHEMBL30690168DTXSID60219111LXXDBPUREVMTMI-UHFFFAOYSA-M

Database identifiers

CAS
69045-85-8
PubChem CID
155241
DTXSID
DTXSID60219111
EC Number
854-811-7
Nikkaji
J62.505A

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
42.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
18

Physicochemical properties

Melting point
89 · 89 - 91°C
Boiling point
341.9 · 341.9±42.0 °C(Predicted)
Density
1.378 · 1.378±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer, Under inert atmosphere
solubility
Chloroform (Slightly), Methanol (Slightly)
pka
9.7 · 9.70±0.15(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

H411 (93.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 30 reports by companies from 3 notifications to the ECHA C&L Inventory.；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 CategoriesAquatic Chronic 2 (93.3%)

Safety data

Symbol(GHS)
GHS09
Hazard statements
H411

Chemistry & industry

Uses & manufacturing

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Upstream & downstream products

Downstream products

Suppliers4 total

四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

68 records
New reaction record

Compound notes

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