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Dephosphate bromofenofos

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Name

Dephosphate bromofenofos

EINECS N/A
CAS No. 21987-62-2 Density 2.319g/cm3
PSA 40.46000 LogP 5.81480
Solubility N/A Melting Point 206°C
Formula C12H6 Br4 O2 Boiling Point 393.9°Cat760mmHg
Molecular Weight 501.82 Flash Point 192°C
Transport Information N/A Appearance N/A
Safety An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of Br. Risk Codes N/A
Molecular Structure Molecular Structure of 21987-62-2 (Bromophene) Hazard Symbols N/A
Synonyms

2,2'-Biphenyldiol,3,3',5,5'-tetrabromo- (8CI);o,o'-Biphenol, 4,4',6,6'-tetrabromo- (6CI,7CI);2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl;3,3',5,5'-Tetrabromo-1,1'-biphenyl-2,2'-diol;3,3',5,5'-Tetrabromo-2,2'-dihydroxybiphenyl;3,5,3',5'-Tetrabromo-2,2'-dihydroxybiphenyl;Bromophene;Dephosphatebromofenofos;MC 21A;

Article Data 15

Dephosphate bromofenofos Chemical Properties

Molecule structure of Dephosphate bromofenofos (CAS NO.21987-62-2):

IUPAC Name: 2,4-Dibromo-6-(3,5-dibromo-2-hydroxyphenyl)phenol 
Molecular Weight: 501.79084 g/mol
Molecular Formula: C12H6Br4O2 
Density: 2.319 g/cm3 
Boiling Point: 393.9 °C at 760 mmHg 
Flash Point: 192 °C
Index of Refraction: 1.719
Molar Refractivity: 85.36 cm3
Molar Volume: 216.3 cm3
Polarizability: 33.84×10-24 cm3
Surface Tension: 64.3 dyne/cm 
Enthalpy of Vaporization: 66.9 kJ/mol
Vapour Pressure: 9.08E-07 mmHg at 25 °C
XLogP3-AA: 5.6
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Tautomer Count: 7
Exact Mass: 501.706037
MonoIsotopic Mass: 497.71013
Topological Polar Surface Area: 40.5
Heavy Atom Count: 18
Complexity: 263
Canonical SMILES: C1=C(C=C(C(=C1Br)O)C2=CC(=CC(=C2O)Br)Br)Br
InChI: InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H
InChIKey: TXODBIOSWNNKJM-UHFFFAOYSA-N
Classification Code of Dephosphate bromofenofos (CAS NO.21987-62-2): Drug / Therapeutic Agent; Reproductive Effect

Dephosphate bromofenofos Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported > 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 534, 1969.

Dephosphate bromofenofos Safety Profile

An experimental teratogen. Other experimental reproductive effects. When heated to decomposition it emits toxic fumes of Br.

Dephosphate bromofenofos Specification

 Dephosphate bromofenofos (CAS NO.21987-62-2) is also named as (1,1'-Biphenyl)-2,2'-diol, 3,3',5,5'-tetrabromo- ; 2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl ; 3,3',5,5'-Tetrabromo-2,2'-biphenyldiol ; 3,3',5,5'-Tetrabromo-2.2'-dihydroxybiphenyl ; 3,5,3',5'-Tetrabromo-2,2'-dihydroxybiphenyl ; 3-06-00-05378 (Beilstein Handbook Reference) ; BRN 2385164 ; Bromophene .

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