4-bromo-3-formylindole - CAS 98600-34-1
Catalog: |
BB042195 |
Product Name: |
4-bromo-3-formylindole |
CAS: |
98600-34-1 |
Synonyms: |
4-bromo-1H-indole-3-carboxaldehyde; 4-bromo-1H-indole-3-carbaldehyde |
IUPAC Name: | 4-bromo-1H-indole-3-carbaldehyde |
Description: | 4-bromo-3-formylindole (CAS# 98600-34-1) is a useful research chemical. |
Molecular Weight: | 224.05 |
Molecular Formula: | C9H6BrNO |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)C(=CN2)C=O |
InChI: | InChI=1S/C9H6BrNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H |
InChI Key: | IPAFHZDRYAWZOB-UHFFFAOYSA-N |
Boiling Point: | 395.6 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.727 g/cm3 |
MDL: | MFCD05864695 |
LogP: | 2.74290 |
GHS Hazard Statement: | H302 (71.43%): 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 |
CN-108329249-A | A kind of method of synthesis of indole -3- benzaldehyde compounds | 20180209 |
CN-108329249-B | Method for synthesizing indole-3-formaldehyde compound | 20180209 |
CN-107935905-A | The synthetic method of Indiacens A | 20171128 |
CN-107935905-B | Synthetic method of Indianens A | 20171128 |
CN-109422745-B | Matrine acylhydrazone derivative, preparation method thereof and application of matrine acylhydrazone derivative in prevention and treatment of plant diseases and insect pests | 20170821 |
Complexity: | 185 |
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: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.96328 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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