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77159-76-3

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77159-76-3 Structure

77159-76-3 Structure

Identification	Back Directory
[Name] 4-BROMO-2,6-DIMETHYLPHENYL ISOCYANATE
[CAS] 77159-76-3
[Synonyms] 4-BROMO-2,6-DIMETHYLPHENYL ISOCYANATE 5-bromo-2-isocyanato-1,3-dimethylbenzene 4-BROMO-2,6-DIMETHYLPHENYL ISOCYANATE, 9 8% 5-Bromo-2-isothiocyanato-1,3-dimethylbenzene Benzene, 5-bromo-2-isocyanato-1,3-dimethyl- (9CI)
[Molecular Formula] C9H8BrNO
[MDL Number] MFCD00037040
[MOL File] 77159-76-3.mol
[Molecular Weight] 226.07

Chemical Properties	Back Directory
[Melting point ] 62-64 °C(lit.)
[Boiling point ] 280.5±35.0 °C(Predicted)
[density ] 1.39±0.1 g/cm3(Predicted)
[storage temp. ] 2-8°C
[Sensitive ] Moisture Sensitive
[BRN ] 5506753
[InChI] 1S/C9H8BrNO/c1-6-3-8(10)4-7(2)9(6)11-5-12/h3-4H,1-2H3
[InChIKey] XGBDVSJAHTYSBK-UHFFFAOYSA-N
[SMILES] Cc1cc(Br)cc(C)c1N=C=O
[CAS DataBase Reference] 77159-76-3

Safety Data	Back Directory
[Symbol(GHS) ] GHS06,GHS08,GHS07
[Signal word ] Warning
[Hazard statements ] H302-H312-H315-H319-H332-H335-H300-H330-H334
[Precautionary statements ] P261-P280-P305+P351+P338-P301+P310a-P304+P340-P320-P330-P405-P501a
[Hazard Codes ] Xn
[Risk Statements ] 20/21/22-36/37/38
[Safety Statements ] 26-36
[RIDADR ] 2206
[WGK Germany ] 3
[HazardClass ] 6.1
[PackingGroup ] III
[HS Code ] 2929109000
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 Skin Sens. 1 STOT SE 3

Hazard Information	Back Directory
[Uses] 4-Bromo-2,6-dimethylphenyl Isocyanate is an organic synthesis building block and a pharmaceutical intermediate.

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