ChemicalBook--->CAS DataBase List--->5676-56-2

5676-56-2

5676-56-2 Structure

5676-56-2 Structure
IdentificationBack Directory
[Name]

5-BROMO-2-METHYLBENZODOXAZOLE
[CAS]

5676-56-2
[Synonyms]

5-BroMo-2-Methylbenzoxazole
2-Methyl-5-bromobenzoxazole
5-BROMO-2-METHYL-BENZOOXAZOLE
5-BROMO-2-METHYLBENZODOXAZOLE
Benzoxazole, 5-bromo-2-methyl-
5-bromo-2-methyl-1,3-benzoxazole
5-bromo-2-methyl-1,3-benzoxazole(SALTDATA: FREE)
[Molecular Formula]

C8H6BrNO
[MDL Number]

MFCD08702771
[MOL File]

5676-56-2.mol
[Molecular Weight]

212.04
Chemical PropertiesBack Directory
[Melting point ]

66-68°
[Boiling point ]

264.8±13.0 °C(Predicted)
[density ]

1.606±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

-0.45±0.10(Predicted)
[Appearance]

Light brown to brown Solid
[InChI]

1S/C8H6BrNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
[InChIKey]

ZBCCSPFGJDVVJB-UHFFFAOYSA-N
[SMILES]

Cc1nc2cc(Br)ccc2o1
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318
[Precautionary statements ]

P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
[Hazard Codes ]

Xn
[Risk Statements ]

22-37/38
[Safety Statements ]

26-39
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
Spectrum DetailBack Directory
[Spectrum Detail]

5-BROMO-2-METHYLBENZODOXAZOLE(5676-56-2)1HNMR
Hazard InformationBack Directory
[References]

[1] Tetrahedron Letters, 2011, vol. 52, # 46, p. 6103 - 6107
[2] Catalysis Letters, 2015, vol. 145, # 3, p. 939 - 946
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