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Cas Database |
| Name |
5-Chloro-2-dimethylaminobenzoxazole |
EINECS | N/A |
| CAS No. | 64037-20-3 | Density | 1.315g/cm3 |
| PSA | 29.27000 | LogP | 2.54720 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H9 Cl N2 O | Boiling Point | 273.8°Cat760mmHg |
| Molecular Weight | 196.636 | Flash Point | 119.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Moderately toxic by ingestion. |
| Synonyms |
NSC 24977 |
Article Data | 2 |
5-Chloro-2-dimethylaminobenzoxazole Chemical Properties
Molecule structure of 5-Chloro-2-dimethylaminobenzoxazole (CAS NO.64037-20-3):
IUPAC Name: 5-Chloro-N,N-dimethyl-1,3-benzoxazol-2-amine
Molecular Weight: 196.63356 g/mol
Molecular Formula: C9H9ClN2O
Density: 1.315 g/cm3
Boiling Point: 273.8 °C at 760 mmHg
Flash Point: 119.4 °C
Index of Refraction: 1.637
Molar Refractivity: 53.69 cm3
Molar Volume: 149.5 cm3
Polarizability: 21.28×10-24 cm3
Surface Tension: 49.7 dyne/cm
Enthalpy of Vaporization: 51.21 kJ/mol
Vapour Pressure: 0.00562 mmHg at 25 °C
XLogP3: 3.3
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 196.040341
MonoIsotopic Mass: 196.040341
Topological Polar Surface Area: 29.3
Heavy Atom Count: 13
Complexity: 189
Canonical SMILES: CN(C)C1=NC2=C(O1)C=CC(=C2)Cl
InChI: InChI=1S/C9H9ClN2O/c1-12(2)9-11-7-5-6(10)3-4-8(7)13-9/h3-5H,1-2H3
InChIKey of 5-Chloro-2-dimethylaminobenzoxazole (CAS NO.64037-20-3): PEIPXRWFLGUKQA-UHFFFAOYSA-N
5-Chloro-2-dimethylaminobenzoxazole Toxicity Data With Reference
| 1. | orl-rat LD50:800 mg/kg | MDCHAG Medicinal Chemistry: A Series of Monographs. 4 (1)(1964),339. | ||
| 2. | ipr-mus LD50:280 mg/kg | MDCHAG Medicinal Chemistry: A Series of Monographs. 4 (1)(1964),337. |
5-Chloro-2-dimethylaminobenzoxazole Safety Profile
A poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.
5-Chloro-2-dimethylaminobenzoxazole Specification
5-Chloro-2-dimethylaminobenzoxazole (CAS NO.64037-20-3) is also named as 4-27-00-04820 (Beilstein Handbook Reference) ; BRN 0139552 ; Benzoxazole, 5-chloro-2-dimethylamino- .
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