2,5-Difluoronitrobenzene - CAS 364-74-9
Catalog: |
BB022975 |
Product Name: |
2,5-Difluoronitrobenzene |
CAS: |
364-74-9 |
Synonyms: |
1,4-difluoro-2-nitrobenzene |
IUPAC Name: | 1,4-difluoro-2-nitrobenzene |
Description: | 2,5-Difluoronitrobenzene (CAS# 364-74-9) is a useful research chemical. |
Molecular Weight: | 159.09 |
Molecular Formula: | C6H3F2NO2 |
Canonical SMILES: | C1=CC(=C(C=C1F)[N+](=O)[O-])F |
InChI: | InChI=1S/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H |
InChI Key: | XNJAYQHWXYJBBD-UHFFFAOYSA-N |
Boiling Point: | 206.5 ℃ |
Melting Point: | 11-12 ℃ |
Purity: | 95 % |
Density: | 1.467 g/cm3 |
Appearance: | Yellow-green liquid. |
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: | MFCD00007054 |
LogP: | 2.39620 |
Vapor Pressure: | 0.35 [mmHg] |
GHS Hazard Statement: | H302 (14.89%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (12.77%): 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 (12.77%): 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-113321572-A | Synthetic method of bark beetle pheromone | 20210804 |
WO-2021085370-A1 | Azole derivative and use thereof | 20191031 |
WO-2021051827-A1 | Apoptosis protein inhibitor, preparation method therefor, and use thereof | 20190918 |
CN-112390852-A | Compound as protein degradation agent and preparation method and application thereof | 20190814 |
US-2021040071-A1 | Solid forms of an hpk1 inhibitor | 20190806 |
PMID | Publication Date | Title | Journal |
20860353 | 20101014 | A combined experimental and computational thermodynamic study of difluoronitrobenzene isomers | The journal of physical chemistry. B |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.01318466 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.01318466 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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