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2-Bromo-4,5-Dimethoxybenzonitrile
[CAS# 109305-98-8]

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Identification
Name 2-Bromo-4,5-Dimethoxybenzonitrile
Synonyms 2-bromo-4,5-dimethoxybenzenecarbonitrile; 2-bromo-4,5-dimethoxybenzonitrile; 2-BROMO-4,5-DIMETHOXY-BENZONITRILE
Molecular Structure CAS#: 109305-98-8, 2-Bromo-4,5-Dimethoxybenzonitrile
Molecular Formula C9H8BrNO2
Molecular Weight 242.07
CAS Registry Number 109305-98-8
SMILES COC1=C(C=C(C(=C1)C#N)Br)OC
InChI 1S/C9H8BrNO2/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-4H,1-2H3
InChIKey BCLBFUAPLHUFET-UHFFFAOYSA-N
Properties
Density 1.5±0.1g/cm3 (Cal.)
Boiling point 325.1±42.0°C at 760 mmHg (Cal.)
Flash point 150.4±27.9°C (Cal.)
Refractive index 1.569 (Cal.)
Safety Data
Safety Code S9;S26;S36/37  Details
Risk Code R20/21/22;R36/37/38  Details
Hazard Symbol symbol  X  Details
Transport Information UN3439
Safety Description DANGER: POISON, causes cyanosis; skin, eye, lung irritation
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