5-Fluoro-2-nitrotoluene - CAS 446-33-3
Catalog: |
BB025675 |
Product Name: |
5-Fluoro-2-nitrotoluene |
CAS: |
446-33-3 |
Synonyms: |
4-fluoro-2-methyl-1-nitrobenzene |
IUPAC Name: | 4-fluoro-2-methyl-1-nitrobenzene |
Description: | 5-Fluoro-2-nitrotoluene (CAS# 446-33-3) is a useful research chemical. |
Molecular Weight: | 155.13 |
Molecular Formula: | C7H6FNO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)F)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6FNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3 |
InChI Key: | JHFOWEGCZWLHNW-UHFFFAOYSA-N |
Boiling Point: | 97-98 ℃ (10 mmHg) |
Melting Point: | 28-98 ℃ |
Purity: | 98 % |
Density: | 1.272 g/cm3 |
Appearance: | Colorless to light yellow liqui |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007283 |
LogP: | 2.56550 |
GHS Hazard Statement: | H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (94%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (94%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112094248-A | Substituted benzothiazole compound and application thereof | 20200917 |
CN-111303075-A | Benzothiazinone derivative, preparation method thereof and application of benzothiazinone derivative as antituberculosis drug | 20200408 |
CN-112409294-A | Benzothiazinone derivative, preparation method thereof and application of benzothiazinone derivative as antituberculosis drug | 20200408 |
WO-2021203812-A1 | Benzothiazinone derivative, preparation method therefor and use thereof as anti-tuberculosis drug | 20200408 |
WO-2021193543-A1 | Compound, composition, cured product, and method for producing cured product | 20200324 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.0382566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.0382566 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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