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6-Bromo-2-benzoxazolinone

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Name

6-Bromo-2-benzoxazolinone

EINECS N/A
CAS No. 19932-85-5 Density 1.809 g/cm3
PSA 46.00000 LogP 1.88360
Solubility N/A Melting Point 192-196 °C
Formula C7H4BrNO2 Boiling Point -2.6°C (rough estimate)
Molecular Weight 214.018 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36
Molecular Structure Molecular Structure of 19932-85-5 (6-BROMO-BENZOXAZOLINONE) Hazard Symbols HarmfulXn
Synonyms

2-Benzoxazolinone,6-bromo- (6CI,8CI);6-Bromo-2(3H)-benzoxazolone;6-Bromo-2-benzoxazolone;6-Bromo-3H-benzoxazol-2-one;6-Bromobenzoxazolone;Cincreasin;NSC 26190;

Article Data 34

6-Bromo-2-benzoxazolinone Chemical Properties

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

6-Bromo-2-benzoxazolinone Toxicity Data With Reference

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.

6-Bromo-2-benzoxazolinone Safety Profile

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): HarmfulXn
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 Specification

 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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