Methyl 6-bromo-2-naphthoate - CAS 33626-98-1
Catalog: |
BB021798 |
Product Name: |
Methyl 6-bromo-2-naphthoate |
CAS: |
33626-98-1 |
Synonyms: |
methyl 6-bromonaphthalene-2-carboxylate |
IUPAC Name: | methyl 6-bromonaphthalene-2-carboxylate |
Description: | Methyl 6-bromo-2-naphthoate (CAS# 33626-98-1) is used in the synthesis of Adapalene, a retinoid specific for RARβ and RARγ receptors. |
Molecular Weight: | 265.10 |
Molecular Formula: | C12H9BrO2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br |
InChI: | InChI=1S/C12H9BrO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3 |
InChI Key: | JEUBRLPXJZOGPX-UHFFFAOYSA-N |
Boiling Point: | 357 ℃ at 760 mmHg |
Melting Point: | 123-126 ℃ |
Purity: | 98 % |
Density: | 1.492 g/cm3 |
Appearance: | Pale yellow or light brown powder |
MDL: | MFCD00100408 |
LogP: | 3.38890 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P273, P280, P302+P352, P321, P332+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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CN-110105382-B | 1,1,2, 2-tetraborate ethylene and preparation method and application thereof | 20190527 |
CN-109265393-B | Synthetic method and application of acylhydrazone metal complex containing naphthalene ring and having single crystal structure | 20181116 |
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Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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