3-Fluorobenzoic acid - CAS 455-38-9
Catalog: |
BB025926 |
Product Name: |
3-Fluorobenzoic acid |
CAS: |
455-38-9 |
Synonyms: |
3-fluorobenzoic acid |
IUPAC Name: | 3-fluorobenzoic acid |
Description: | 3-Fluorobenzoic acid (CAS# 455-38-9) is a compound useful in organic synthesis. |
Molecular Weight: | 140.11 |
Molecular Formula: | C7H5FO2 |
Canonical SMILES: | C1=CC(=CC(=C1)F)C(=O)O |
InChI: | InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) |
InChI Key: | MXNBDFWNYRNIBH-UHFFFAOYSA-N |
Boiling Point: | 251.1 °C at 760 mmHg |
Melting Point: | 121-125 °C |
Density: | 1.474 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002489 |
LogP: | 1.52390 |
Vapor Pressure: | 0.05 [mmHg] |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (14.04%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480543-A | 2,6, 8-polysubstituted imidazo [1,2-a ] pyrazine and synthetic method and application thereof | 20210707 |
CN-113372293-A | Preparation method of 2-phenylbenzothiazole derivative | 20210625 |
CN-113501807-A | Tetrahydrobenzothiophene compound, and preparation method and application of pharmaceutical composition | 20210610 |
CN-113321662-A | Hydrazine visual fluorescent probe molecule and preparation method thereof | 20210528 |
CN-113264894-A | Benzoxazole derivative and preparation method thereof | 20210524 |
PMID | Publication Date | Title | Journal |
22101783 | 20120701 | Isolation and characterization of a Rhodococcus strain able to degrade 2-fluorophenol | Applied microbiology and biotechnology |
22259322 | 20120101 | Aqua-(3-fluoro-benzoato-κO)(3-fluoro-benzoato-κO,O')(1,10-phenanthroline-κN,N')cobalt(II) | Acta crystallographica. Section E, Structure reports online |
21906639 | 20111210 | Generation of a catR deficient mutant of P. putida KT2440 that produces cis, cis-muconate from benzoate at high rate and yield | Journal of biotechnology |
22010634 | 20111101 | Enzymes involved in the anaerobic degradation of meta-substituted halobenzoates | Molecular microbiology |
21754295 | 20110501 | Aqua-bis-(3-fluoro-benzoato-κO)(1,10-phenanthroline-κN,N')copper(II) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.02735756 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.02735756 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Fluorinated Building Blocks
Other Pyrimidines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS