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6-Bromo-1,2-naphthoquinone

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Name

6-Bromo-1,2-naphthoquinone

EINECS N/A
CAS No. 6954-48-9 Density 1.708g/cm3
PSA 34.14000 LogP 2.22770
Solubility N/A Melting Point 168°C (rough estimate)
Formula C10H5 Br O2 Boiling Point 363.7°C at 760 mmHg
Molecular Weight 237.052 Flash Point 147.5°C
Transport Information N/A Appearance N/A
Safety Poison by ingestion and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of Br. Risk Codes N/A
Molecular Structure Molecular Structure of 6954-48-9 (bonafton) Hazard Symbols N/A
Synonyms

1,2-Naphthoquinone,6-bromo- (6CI,8CI); 6-Bromo-1,2-naphthalenedione; 6-Bromo-1,2-naphthoquinone;Bonafton; Bonaphthon; Bonaphthone; NSC 37564; UA 13082

Article Data 19

6-Bromo-1,2-naphthoquinone Chemical Properties

IUPAC Name: 6-bromonaphthalene-1,2-dione 
Empirical Formula: C10H5BrO2
Molecular Weight: 237.0495g/mol
Structure of 6-Bromo-1,2-naphthoquinone (CAS NO.6954-48-9):

Index of Refraction: 1.649
Molar Refractivity: 50.59 cm3
Molar Volume: 138.7 cm3
Polarizability: 20.05×10-24cm3
Surface Tension: 57.2 dyne/cm
Density: 1.708 g/cm3
Flash Point: 147.5 °C
Enthalpy of Vaporization: 60.97 kJ/mol
Boiling Point: 363.7 °C at 760 mmHg
Vapour Pressure: 1.78E-05 mmHg at 25°C 
Classification Code: Drug / Therapeutic Agent, Reproductive Effect 
Canonical SMILES: C1=CC2=C(C=CC(=O)C2=O)C=C1Br
InChI: InChI=1S/C10H5BrO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1-5H
InChIKey: MXWZRRPNVLCHMY-UHFFFAOYSA-N

6-Bromo-1,2-naphthoquinone Toxicity Data With Reference

1.    

orl-rat LD50:3900 mg/kg

    FATOAO    Farmakologiya i Toksikologiya (Moscow). 43 (1980),337.
2.    

ipr-rat LD50:130 mg/kg

    FATOAO    Farmakologiya i Toksikologiya (Moscow). 39 (1976),628.
3.    

orl-mus LD50:260 mg/kg

    FATOAO    Farmakologiya i Toksikologiya (Moscow). 39 (1976),628.
4.    

ipr-mus LD50:9 mg/kg

    FATOAO    Farmakologiya i Toksikologiya (Moscow). 39 (1976),628.
5.    

orl-gpg LD50:900 mg/kg

    FATOAO    Farmakologiya i Toksikologiya (Moscow). 39 (1976),628.

6-Bromo-1,2-naphthoquinone Safety Profile

Poison by ingestion and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of Br.

6-Bromo-1,2-naphthoquinone Specification

  6-Bromo-1,2-naphthoquinone , its cas register number is 6954-48-9. It also can be called ,2-Naphthoquinone, 6-bromo- ;
 4-07-00-02422 (Beilstein Handbook Reference) ; 6-Brom-1,2-naphthochinon ; BRN 1944551 ; Bonafton ; Bonaphthon ;
 Bonaphthone ; NSC 37564 .

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