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DIOFENOLAN

DIOFENOLAN structure

CAS No:
63837-33-2
Formula:
C18H20O4
Chemical Name:
DIOFENOLAN
Synonyms:
DIOFENOLAN;DIOFENOLAN MIXTURE OF DIASTEREO-MERS, PE STANAL, 250 MG;cga059205;diofenolan (bsi,iso);(2S,4R)-2-ETHYL-4-[(4-PHENOXYPHENOXY)METHYL]-1,3-DIOXOLANE
Categories:
Analytical Chemistry > Standard

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DIOFENOLAN Basic Attributes

Molecular Weight：

300.35

Exact Mass：

300.13600

UNII：

4809GWT7HE

DSSTox ID：

DTXSID2041884

Characteristics

PSA：

36.9

XLogP3：

4.00920

Density：

1.118g/cm3

Melting Point：

25°C

Boiling Point：

416ºC at 760mmHg

Flash Point：

114 °C

Refractive Index：

1.536

Water Solubility：

1.63e-05 M

Storage Conditions：

0-6°C

Vapor Pressure：

8.25e-07 mmHg

Safety Information

Transport codes：

UN30829/PG3

hazard class code：

50/53

safety instructions：

60-61

Marks：

Precautionary statement(s)：

P261-P273-P311

Hazard Statements：

H331-H400

GHS Classification：

|Danger|H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]|P261, P271, P273, P304+P340, P311, P321, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

CGA-259205

Computed Properties

Molecular Weight:300.3
XLogP3:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:300.13615911
Monoisotopic Mass:300.13615911
Topological Polar Surface Area:36.9
Heavy Atom Count:22
Complexity:308
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes