2,3,4,5-Tetrafluoronitrobenzene - CAS 5580-79-0
Catalog: |
BB029182 |
Product Name: |
2,3,4,5-Tetrafluoronitrobenzene |
CAS: |
5580-79-0 |
Synonyms: |
1,2,3,4-tetrafluoro-5-nitrobenzene |
IUPAC Name: | 1,2,3,4-tetrafluoro-5-nitrobenzene |
Description: | 2,3,4,5-Tetrafluoronitrobenzene (CAS# 5580-79-0) is a compound useful in organic synthesis. |
Molecular Weight: | 195.07 |
Molecular Formula: | C6HF4NO2 |
Canonical SMILES: | C1=C(C(=C(C(=C1F)F)F)F)[N+](=O)[O-] |
InChI: | InChI=1S/C6HF4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H |
InChI Key: | MKMDVNZEIQDZEP-UHFFFAOYSA-N |
Boiling Point: | 80 °C (24 mmHg) |
Purity: | 95 % |
Density: | 1.618 g/cm3 |
Appearance: | Light yellow liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from heat 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: | MFCD00014686 |
LogP: | 2.67440 |
GHS Hazard Statement: | H315 (100%): 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-111377826-A | Green synthesis process of key intermediate of quinolone | 20200323 |
CN-111377826-B | Green synthesis process of key intermediate of quinolone | 20200323 |
CN-210813976-U | Distillation device for producing di-tetra-difluoronitrobenzene | 20190920 |
CN-210933896-U | Stirring extraction device for producing di-tetra-difluoronitrobenzene | 20190920 |
WO-2019148044-A1 | Compounds for the treatment of kinase-dependent disorders | 20180126 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.99434092 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.99434092 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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