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3-Bromo-4-Cyanobenzoic Acid
[CAS# 581213-69-6]

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Identification
Name 3-Bromo-4-Cyanobenzoic Acid
Synonyms 3-Brom-4-cyanbenzoesäure; 3-Bromo-4-cyanobenzoic acid; Acide 3-bromo-4-cyanobenzoïque
Molecular Formula C8H4BrNO2
Molecular Weight 226.03
CAS Registry Number 581213-69-6
SMILES c1cc(c(cc1C(=O)O)Br)C#N
InChI 1S/C8H4BrNO2/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12)
InChIKey WAFUFPLTXVDCNT-UHFFFAOYSA-N
Properties
Density 1.8±0.1g/cm3 (Cal.)
Boiling point 404.1±40.0°C at 760 mmHg (Cal.)
Flash point 198.2±27.3°C (Cal.)
Refractive index 1.651 (Cal.)
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