4-(1H-1,2,4-Triazol-1-yl)benzaldehyde - CAS 27996-86-7
Catalog: |
BB019730 |
Product Name: |
4-(1H-1,2,4-Triazol-1-yl)benzaldehyde |
CAS: |
27996-86-7 |
Synonyms: |
4-(1,2,4-triazol-1-yl)benzaldehyde; 4-(1,2,4-triazol-1-yl)benzaldehyde |
IUPAC Name: | 4-(1,2,4-triazol-1-yl)benzaldehyde |
Description: | 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde (CAS# 27996-86-7) is a useful research chemical. |
Molecular Weight: | 173.17 |
Molecular Formula: | C9H7N3O |
Canonical SMILES: | C1=CC(=CC=C1C=O)N2C=NC=N2 |
InChI: | InChI=1S/C9H7N3O/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-7H |
InChI Key: | TVEJNWMWDIXPAX-UHFFFAOYSA-N |
Boiling Point: | 369.2 °C at 760 mmHg |
Density: | 1.25 g/cm3 |
MDL: | MFCD02681969 |
LogP: | 1.07980 |
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-109761992-B | Triazolyl benzaldehyde rhodamine hydrazine hydrate Schiff base and preparation method thereof | 20181217 |
CN-109206405-A | Triazolyl quinoline copper complex with AIE property and preparation method thereof | 20181016 |
CN-109206405-B | Triazolyl quinoline copper complex with AIE property and preparation method thereof | 20181016 |
WO-2020039027-A1 | Pyrrolidine glycosidase inhibitors | 20180822 |
US-2021213005-A1 | Pyrrolidine glycosidase inhibitors | 20180822 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.058911855 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 47.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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