3-Bromo-4-hydroxybenzonitrile - CAS 2315-86-8
Catalog: |
BB017959 |
Product Name: |
3-Bromo-4-hydroxybenzonitrile |
CAS: |
2315-86-8 |
Synonyms: |
Benzonitrile, 3-bromo-4-hydroxy-; 2-Bromo-4-cyanophenol |
IUPAC Name: | 3-bromo-4-hydroxybenzonitrile |
Description: | 3-Bromo-4-hydroxybenzonitrile (CAS# 2315-86-8) is a reactant that has been used in the preparation of tetrazoles. |
Molecular Weight: | 198.02 |
Molecular Formula: | C7H4BrNO |
Canonical SMILES: | C1=CC(=C(C=C1C#N)Br)O |
InChI: | InChI=1S/C7H4BrNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H |
InChI Key: | HLHNOIAOWQFNGW-UHFFFAOYSA-N |
Boiling Point: | 271.1±25.0°C at 760 mmHg |
Melting Point: | 153-154°C |
Purity: | ≥95% |
Density: | 1.79±0.1 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly, Heated) |
Appearance: | Off-white to Pale Beige Solid |
Storage: | Store at -20°C |
MDL: | MFCD00143096 |
LogP: | 2.02638 |
GHS Hazard Statement: | H302 (95.65%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112321521-A | Electron transport material, organic electroluminescent device and display device | 20201106 |
WO-2021153168-A1 | Compound, light-emitting material and organic light-emitting element | 20200131 |
WO-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
WO-2020230134-A1 | Acss2 inhibitors and methods of use thereof | 20190514 |
WO-2020071550-A1 | Cdk8 inhibitor and use of same | 20181004 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.94763 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.94763 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 44 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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