CAS No.19932-85-5,6-BROMO-BENZOXAZOLINONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	19932-85-5
Name:	6-BROMO-BENZOXAZOLINONE
Article Data:	34

Formula:	C₇H₄BrNO₂
Molecular Weight:	214.018
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;
Density:	1.809 g/cm³
Melting Point:	192-196 °C
Boiling Point:	-2.6°C (rough estimate)
Hazard Symbols:	Xn
Risk Codes:	22-36
Safety:	26
PSA:	46.00000
LogP:	1.88360

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Chemistry

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

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	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.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Br⁻ and NO_x.
Hazard Codes of 6-Bromo-2-benzoxazolinone (CAS NO.19932-85-5): Harmful 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

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) .