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| CAS No.: | 6954-48-9 |
|---|---|
| Name: | bonafton |
| Article Data: | 19 |
| Molecular Structure: | |
|
|
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| Formula: | C10H5 Br O2 |
| Molecular Weight: | 237.052 |
| 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 |
| Density: | 1.708g/cm3 |
| Melting Point: | 168°C (rough estimate) |
| Boiling Point: | 363.7°C at 760 mmHg |
| Flash Point: | 147.5°C |
| Safety: | Poison by ingestion and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of Br−. |
| PSA: | 34.14000 |
| LogP: | 2.22770 |
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- Total:11 Page 1 of 1 1
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Chemistry
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):
.bmp)
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
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. |
Safety Profile
Poison by ingestion and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of Br−.
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 .