6-Bromo-2-naphthoic acid - CAS 5773-80-8
Catalog: |
BB029802 |
Product Name: |
6-Bromo-2-naphthoic acid |
CAS: |
5773-80-8 |
Synonyms: |
6-bromo-2-naphthalenecarboxylic acid; 6-bromonaphthalene-2-carboxylic acid |
IUPAC Name: | 6-bromonaphthalene-2-carboxylic acid |
Description: | 6-Bromo-2-naphthoic acid (CAS# 5773-80-8) is used in the preparation of Adapalene, a synthetic aromatic retinoid with specificity for RARβ and RARγ receptors. |
Molecular Weight: | 251.08 |
Molecular Formula: | C11H7BrO2 |
Canonical SMILES: | C1=CC2=C(C=CC(=C2)Br)C=C1C(=O)O |
InChI: | InChI=1S/C11H7BrO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14) |
InChI Key: | NPMCAVBMOTZUPD-UHFFFAOYSA-N |
Boiling Point: | 387.3 °C at 760 mmHg |
Purity: | > 95 % |
Density: | 1.648 g/cm3 |
MDL: | MFCD01075720 |
LogP: | 3.30050 |
GHS Hazard Statement: | H315 (97.96%): 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-212776559-U | Control device for 6-bromo-2-naphthoic acid production equipment | 20200817 |
CN-213333180-U | A mounting bracket for 6-bromo-2-naphthoic acid production facility | 20200817 |
CN-213326977-U | Wastewater collection and treatment device for 6-bromo-2-naphthoic acid production | 20200816 |
CN-212974944-U | Agitating unit is used in production of 6-bromo-2-naphthoic acid raw materials | 20200815 |
CN-212975075-U | Positioning device of 6-bromo-2-naphthoic acid production equipment | 20200815 |
PMID | Publication Date | Title | Journal |
21864882 | 20110801 | New synthesis of 6[3-(1-adamantyl)-4-methoxyphenyl]-2-naphthoic acid and evaluation of the influence of adamantyl group on the DNA binding of a naphthoic retinoid | Bioorganic chemistry |
17822949 | 20080601 | Structures and vibrational frequencies of 2-naphthoic acid and 6-bromo-2-naphthoic acid based on density functional theory calculations | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.96294 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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