3-Bromo-4-chlorobenzaldehyde - CAS 86265-88-5
Catalog: |
BB037876 |
Product Name: |
3-Bromo-4-chlorobenzaldehyde |
CAS: |
86265-88-5 |
Synonyms: |
3-bromo-4-chlorobenzaldehyde; 3-bromo-4-chlorobenzaldehyde |
IUPAC Name: | 3-bromo-4-chlorobenzaldehyde |
Description: | 3-Bromo-4-chlorobenzaldehyde (CAS# 86265-88-5) is a useful research chemical. |
Molecular Weight: | 219.46 |
Molecular Formula: | C7H4BrClO |
Canonical SMILES: | C1=CC(=C(C=C1C=O)Br)Cl |
InChI: | InChI=1S/C7H4BrClO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H |
InChI Key: | AKDABJGHOOCVKX-UHFFFAOYSA-N |
Boiling Point: | 277.8±20.0 °C (760 Torr) |
Density: | 1.698±0.06 g/cm3 (20°C 760 Torr) |
MDL: | MFCD08059100 |
LogP: | 2.91500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020112706-A1 | 7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | 20181130 |
WO-2019196720-A1 | Arginine methyltransferase inhibitor, pharmaceutical composition thereof and use thereof | 20180408 |
US-2019298729-A1 | Imidazopiperazine inhibitors of transcription activating proteins | 20180329 |
WO-2019191667-A1 | Imidazopiperazine inhibitors of transcription activating proteins | 20180329 |
EP-3773587-A1 | Imidazopiperazine inhibitors of transcription activating proteins | 20180329 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.91341 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.91341 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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