4-Bromopyrrole-2-carbaldehyde - CAS 931-33-9
Catalog: |
BB040784 |
Product Name: |
4-Bromopyrrole-2-carbaldehyde |
CAS: |
931-33-9 |
Synonyms: |
4-bromo-1H-pyrrole-2-carboxaldehyde; 4-bromo-1H-pyrrole-2-carbaldehyde |
IUPAC Name: | 4-bromo-1H-pyrrole-2-carbaldehyde |
Description: | Twenty-one halo- and cyanopyrroles related to the trail pheromone of A. texana, Methyl 4-Methylpyrrole-2-carboxylate [34402-78-3], were prepared and tested by a faster and more sensitive bioassay than was previously available. Methyl 4-Chloropyrrole-2-carboxylate [1194-96-3] and Methyl 4-bromopyrrole-2-carboxylate appeared to be as active as the first one. Responsiveness of the ants in descending order to these compounds based on the constituent in the number two position, was: esters, methyl ketones, aldehydes. |
Molecular Weight: | 174.00 |
Molecular Formula: | C5H4BrNO |
Canonical SMILES: | C1=C(NC=C1Br)C=O |
InChI: | InChI=1S/C5H4BrNO/c6-4-1-5(3-8)7-2-4/h1-3,7H |
InChI Key: | RFQYNGQAZZSGFM-UHFFFAOYSA-N |
LogP: | 1.58970 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113149996-A | Polycyclic amide derivative serving as CDK9 inhibitor, and preparation method and application thereof | 20200512 |
CN-111217812-A | Process for preparing 2-bromoindolizine derivatives | 20200228 |
WO-2021072156-A1 | Oral complement factor d inhibitors | 20191009 |
US-2020392153-A1 | Substituted eneoxindoles and uses thereof | 20190523 |
WO-2020237025-A1 | Substituted exo-methylene-oxindoles which are hpk1/map4k1 inhibitors | 20190523 |
Complexity: | 96.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.94763 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.94763 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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