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Beflubutamid

Beflubutamid structure

CAS No:
113614-08-7
Formula:
C18H17F4NO2
Chemical Name:
Beflubutamid
Synonyms:
Butanamide,2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(phenylmethyl)-;2-[4-Fluoro-3-(trifluoromethyl)phenoxy]-N-(phenylmethyl)butanamide;UBH 820;Beflubutamid;Benfluamid;113614-30-5
Categories:
Analytical Chemistry > Standard

Description

N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 2-[4-fluoro-3-(trifluoromethyl)phenoxy]butyric acid with the amino group of benzylamine. It is a monocarboxylic acid amide, an aromatic ether, a member of monofluorobenzenes and a member of (trifluoromethyl)benzenes. It derives from a benzylamine.

Beflubutamid Basic Attributes

Molecular Weight：

355.33

Exact Mass：

355.33

EC Number：

601-267-1

DSSTox ID：

DTXSID7057941

Characteristics

PSA：

38.3

XLogP3：

4.96

Density：

1.250±0.06 g/cm3(Predicted)

Boiling Point：

496.6±45.0 °C(Predicted)

Flash Point：

254.1±28.7 °C

Refractive Index：

1.507

Safety Information

Transport codes：

UN 3077 9 / PGIII

hazard class code：

50/53

safety instructions：

60-61

Marks：

Precautionary statement(s)：

P273-P501

Hazard Statements：

H410

GHS Classification：

|Warning|H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|Aggregated GHS information provided by 144 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Drug Information

MeSH Entry Terms：

2-(4-fluoro-3-(trifluoromethyl)phenoxy)-N-(phenylmethyl)butanamide

Beflubutamid Use and Manufacturing

Use Classification：

Agrochemicals -> Herbicides|Pharmaceuticals|Herbicides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Beflubutamid has known environmental transformation products that include UR-50604 and phenoxybutyric acid.

Computed Properties

Molecular Weight:355.3
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:355.11954143
Monoisotopic Mass:355.11954143
Topological Polar Surface Area:38.3
Heavy Atom Count:25
Complexity:424
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes