(4-Bromobenzoyl)acetonitrile - CAS 4592-94-3
Catalog: |
BB026020 |
Product Name: |
(4-Bromobenzoyl)acetonitrile |
CAS: |
4592-94-3 |
Synonyms: |
3-(4-bromophenyl)-3-oxopropanenitrile |
IUPAC Name: | 3-(4-bromophenyl)-3-oxopropanenitrile |
Description: | (4-Bromobenzoyl)acetonitrile (CAS# 4592-94-3) is a useful research chemical. |
Molecular Weight: | 224.05 |
Molecular Formula: | C9H6BrNO |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CC#N)Br |
InChI: | InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2 |
InChI Key: | HSNWUXWZCSDJPL-UHFFFAOYSA-N |
Boiling Point: | 370 °C at 760 mmHg |
Melting Point: | 161-163 °C |
Purity: | 95 % |
Density: | 1.523 g/cm3 |
Appearance: | White to tan solid, powder, crystals,crystalline powder and/or chunks |
MDL: | MFCD00996063 |
LogP: | 2.54548 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112812040-A | Amidine acylhydrazone compound and preparation method thereof | 20210106 |
WO-2021157684-A1 | Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof | 20200206 |
KR-102112336-B1 | Heterocyclic compound as a protein kinase inhibitor | 20190812 |
KR-20190096917-A | Heterocylic compound as a protein kinase inhibitor | 20190812 |
KR-102133595-B1 | Heterocyclic compound as a protein kinase inhibitor | 20190531 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.96328 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.96328 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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