1H-1,3-benzodiazole-4-carbaldehyde - CAS 144876-36-8
Catalog: |
BB009847 |
Product Name: |
1H-1,3-benzodiazole-4-carbaldehyde |
CAS: |
144876-36-8 |
Synonyms: |
1H-benzimidazole-4-carboxaldehyde; 1H-benzimidazole-4-carbaldehyde |
IUPAC Name: | 1H-benzimidazole-4-carbaldehyde |
Description: | 1H-1,3-benzodiazole-4-carbaldehyde (CAS# 144876-36-8) is useful for the synthesis of N-benzyl substituted 4-bromo-2,5-dimethoxyphenethylamines. |
Molecular Weight: | 146.149 |
Molecular Formula: | C8H6N2O |
Canonical SMILES: | C1=CC(=C2C(=C1)NC=N2)C=O |
InChI: | InChI=1S/C8H6N2O/c11-4-6-2-1-3-7-8(6)10-5-9-7/h1-5H,(H,9,10) |
InChI Key: | UNGJRTXGRUDJGM-UHFFFAOYSA-N |
Boiling Point: | 448.037 °C at 760 mmHg |
Density: | 1.369 g/cm3 |
LogP: | 1.37540 |
GHS Hazard Statement: | H302 (50%): 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-113024435-A | Linbicyclic structure sigma-1 receptor inhibitors | 20191209 |
WO-2021055591-A1 | Substituted benzimidazole carboxamides and their use in the treatment of medical disorders | 20190917 |
WO-2020210649-A1 | Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 20190412 |
TW-202103708-A | Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 20190412 |
WO-2020097389-A1 | Bicyclic compounds | 20181109 |
PMID | Publication Date | Title | Journal |
17683860 | 20080301 | Identification of metabolites during biodegradation of pendimethalin in bioslurry reactor | Journal of hazardous materials |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.048012819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Benzimidazoles
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