3-Methylbenzofuran - CAS 21535-97-7
Catalog: |
BB016945 |
Product Name: |
3-Methylbenzofuran |
CAS: |
21535-97-7 |
Synonyms: |
3-methylbenzofuran; 3-methyl-1-benzofuran |
IUPAC Name: | 3-methyl-1-benzofuran |
Description: | 3-Methylbenzofuran (CAS# 21535-97-7) is used in enantioselective preparation of Benzoheterocycles via Iridium-catalyzed Hydrogenation of Indole and Benzofuran derivatives. |
Molecular Weight: | 132.16 |
Molecular Formula: | C9H8O |
Canonical SMILES: | CC1=COC2=CC=CC=C12 |
InChI: | InChI=1S/C9H8O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3 |
InChI Key: | ZRXHLJNBNWVNIM-UHFFFAOYSA-N |
Boiling Point: | 198.5 °C at 760 mmHg |
Density: | 1.077 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00205641 |
LogP: | 2.74120 |
GHS Hazard Statement: | H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112645909-A | Method for synthesizing alpha-benzyl benzofuran compound | 20210125 |
CN-112675919-A | Application of N-heterocyclic carbene-based mixed nickel (II) complex in synthesis of alpha-benzylbenzofuran compounds | 20210125 |
CN-112851608-A | Catalytic oxidation synthesis method of 2-diaryl methyl benzofuran compound | 20210118 |
WO-2021102410-A1 | Naphtho[2,1 -d]thiazole derivatives, compositions thereof and methods of treating disorders | 20191122 |
WO-2021101854-A1 | Compounds and methods of preparing compounds s1p1 modulators | 20191119 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.057514874 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.057514874 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 13.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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