4-Fluoro-2-nitrobenzoic acid - CAS 394-01-4
Catalog: |
BB023966 |
Product Name: |
4-Fluoro-2-nitrobenzoic acid |
CAS: |
394-01-4 |
Synonyms: |
4-fluoro-2-nitrobenzoic acid |
IUPAC Name: | 4-fluoro-2-nitrobenzoic acid |
Description: | 4-Fluoro-2-nitrobenzoic acid (CAS# 394-01-4) is a useful research chemical. |
Molecular Weight: | 185.11 |
Molecular Formula: | C7H4FNO4 |
Canonical SMILES: | C1=CC(=C(C=C1F)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C7H4FNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11) |
InChI Key: | YLUCXHMYRQUERW-UHFFFAOYSA-N |
Boiling Point: | 251.8 °C at 760 mmHg |
Density: | 1.392 g/cm3 |
MDL: | MFCD00024300 |
LogP: | 1.95530 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): 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-113307740-A | Preparation method of 2-amino-4-fluorobenzoic acid | 20210527 |
CN-111499539-A | Aryl cyanide synthesis method using aryl carboxylic acid as raw material | 20200420 |
WO-2021197467-A1 | Multi-target anti-tumor compound, preparation method therefor and use thereof | 20200402 |
WO-2021170109-A1 | Tropomyosin receptor kinase (trk) degradation compounds and methods of use | 20200226 |
CN-112409332-A | Triazole derivative and application thereof in medicines | 20190823 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.01243577 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.01243577 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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