2,3,4,5-Tetrafluoro-6-nitrobenzoic acid - CAS 16583-08-7
Catalog: |
BB012221 |
Product Name: |
2,3,4,5-Tetrafluoro-6-nitrobenzoic acid |
CAS: |
16583-08-7 |
Synonyms: |
2,3,4,5-tetrafluoro-6-nitrobenzoic acid |
IUPAC Name: | 2,3,4,5-tetrafluoro-6-nitrobenzoic acid |
Description: | 2,3,4,5-Tetrafluoro-6-nitrobenzoic acid (CAS# 16583-08-7) is a useful research chemical. |
Molecular Weight: | 239.08 |
Molecular Formula: | C7HF4NO4 |
Canonical SMILES: | C1(=C(C(=C(C(=C1F)F)F)F)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C7HF4NO4/c8-2-1(7(13)14)6(12(15)16)5(11)4(10)3(2)9/h(H,13,14) |
InChI Key: | JQGBMYKEWLSLCI-UHFFFAOYSA-N |
Boiling Point: | 342.6 °C at 760 mmHg |
Melting Point: | 137-141 °C (lit.) |
Purity: | 95 % |
Density: | 1.83 g/cm3 |
Appearance: | Light yellow crystalline powder |
MDL: | MFCD02093916 |
LogP: | 2.37260 |
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 |
JP-2021155337-A | Manufacturing method of carbosilane | 20200325 |
KR-20210004861-A | Organic electroluminescent materials and devices | 20190702 |
US-2021002311-A1 | Organic electroluminescent materials and devices | 20190702 |
CN-112175012-A | Organic electroluminescent material and device | 20190702 |
TW-201417817-A | Combination of GSK3 inhibitor and anti-DR5 antibody | 20120925 |
Complexity: | 309 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.98417016 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.98417016 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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