2,6-Dibromo-4-(trifluoromethoxy)aniline - CAS 88149-49-9
Catalog: |
BB038753 |
Product Name: |
2,6-Dibromo-4-(trifluoromethoxy)aniline |
CAS: |
88149-49-9 |
Synonyms: |
2,6-dibromo-4-(trifluoromethoxy)aniline; 2,6-dibromo-4-(trifluoromethoxy)aniline |
IUPAC Name: | 2,6-dibromo-4-(trifluoromethoxy)aniline |
Description: | 2,6-Dibromo-4-(trifluoromethoxy)benzenamine is used in the synthesis of novel pyridylpyrazole acid derivatives in the preparation of agricultural insecticides. |
Molecular Weight: | 334.92 |
Molecular Formula: | C7H4Br2F3NO |
Canonical SMILES: | C1=C(C=C(C(=C1Br)N)Br)OC(F)(F)F |
InChI: | InChI=1S/C7H4Br2F3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2 |
InChI Key: | JBSWOEGXMADXOU-UHFFFAOYSA-N |
Boiling Point: | 65 ℃ / 0.1 mmHg |
Purity: | 99 % |
Density: | 2.036 g/cm3 |
Appearance: | Faint gray to yellow crystalline powder |
MDL: | MFCD00153113 |
LogP: | 4.27360 |
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 |
WO-2020086728-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181024 |
CN-113347970-A | Compounds and compositions for treating conditions associated with NLRP activity | 20181024 |
EP-3870168-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181024 |
WO-2019243533-A1 | Oga inhibitor compounds | 20180621 |
AU-2019291099-A1 | Oga inhibitor compounds | 20180621 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 334.85912 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 332.86117 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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