Molecular structure of 6-Bromo-2-benzoxazolinone (CAS NO.19932-85-5) is:
Product Name: 6-Bromo-2-benzoxazolinone
CAS Registry Number: 19932-85-5
IUPAC Name: 6-bromo-3H-1,3-benzoxazol-2-one
Molecular Weight: 214.01616 [g/mol]
Molecular Formula: C7H4BrNO2
XLogP3: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 2
Melting Point: 192-196 °C
Surface Tension: 51.7 dyne/cm
Density: 1.809 g/cm3
Classification Code: Drug / Therapeutic Agent
Canonical SMILES: C1=CC2=C(C=C1Br)OC(=O)N2
InChI: InChI=1S/C7H4BrNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey: DDNKJFBQMQOIKI-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 445mg/kg (445mg/kg) | Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 340, 1964. | |
mouse | LD50 | oral | 935mg/kg (935mg/kg) | Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 340, 1964. | |
rat | LD50 | oral | 1gm/kg (1000mg/kg) | Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 341, 1964. |
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Br− and NOx.
Hazard Codes of 6-Bromo-2-benzoxazolinone (CAS NO.19932-85-5): Xn
Risk Statements: 22-36
R22:Harmful if swallowed.
R36:Irritating to eyes.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RTECS: DM4960000
HazardClass: IRRITANT
6-Bromo-2-benzoxazolinone , its cas register number is 19932-85-5. It also can be called 6-Bromobenzoksazolinon-2 ; and 2(3H)-Benzoxazolone, 6-bromo- (9CI) .
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