1-Nitro-2-(trifluoromethoxy)benzene - CAS 1644-88-8
Catalog: |
BB012112 |
Product Name: |
1-Nitro-2-(trifluoromethoxy)benzene |
CAS: |
1644-88-8 |
Synonyms: |
1-nitro-2-(trifluoromethoxy)benzene; 1-nitro-2-(trifluoromethoxy)benzene |
IUPAC Name: | 1-nitro-2-(trifluoromethoxy)benzene |
Description: | 1-Nitro-2-(trifluoromethoxy)benzene (CAS# 1644-88-8) is an impurity in the preparation of Riluzole (R510000). |
Molecular Weight: | 207.11 |
Molecular Formula: | C7H4F3NO3 |
Canonical SMILES: | C1=CC=C(C(=C1)[N+](=O)[O-])OC(F)(F)F |
InChI: | InChI=1S/C7H4F3NO3/c8-7(9,10)14-6-4-2-1-3-5(6)11(12)13/h1-4H |
InChI Key: | YTWBYJAWWKTPOV-UHFFFAOYSA-N |
Boiling Point: | 208.4 ℃ at 760 mmHg |
Density: | 1.461 g/cm3 |
LogP: | 3.01660 |
Publication Number | Title | Priority Date |
EP-3717464-A1 | Nitration | 20181026 |
CN-113302186-A | Nitration | 20181026 |
EP-3717464-B1 | Nitration | 20181026 |
CN-109134277-A | Synthetic method of the insecticide metaflumizone intermediate to trifluoro-methoxyaniline | 20181016 |
CN-109134277-B | Synthetic method of p-trifluoromethoxyaniline as insecticide metaflumizone intermediate | 20181016 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.01432748 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.01432748 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS