3-Amino-2,6-difluorobenzoic Acid - CAS 83141-11-1
Catalog: |
BB036977 |
Product Name: |
3-Amino-2,6-difluorobenzoic Acid |
CAS: |
83141-11-1 |
Synonyms: |
3-amino-2,6-difluorobenzoic acid; 3-amino-2,6-difluorobenzoic acid |
IUPAC Name: | 3-amino-2,6-difluorobenzoic acid |
Description: | 3-Amino-2,6-difluorobenzoic Acid (CAS# 83141-11-1) is a useful research chemical. |
Molecular Weight: | 173.12 |
Molecular Formula: | C7H5F2NO2 |
Canonical SMILES: | C1=CC(=C(C(=C1N)F)C(=O)O)F |
InChI: | InChI=1S/C7H5F2NO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,10H2,(H,11,12) |
InChI Key: | ORSUTLAFOCNIDY-UHFFFAOYSA-N |
Boiling Point: | 315.9 °C at 760 mmHg |
Density: | 1.536 g/cm3 |
MDL: | MFCD07368833 |
LogP: | 1.82640 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020181128-A1 | 3-hydroxy-imidazolidin-4-one compounds as inhibitors of indoleamine 2,3-dioxygenase | 20170901 |
WO-2019043103-A1 | 3-HYDROXY-IMIDAZOLIDIN-4-ONE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | 20170901 |
EP-3676263-A1 | 3-hydroxy-imidazolidin-4-one compounds as inhibitors of indoleamine 2,3-dioxygenase | 20170901 |
EP-3676263-B1 | 3-hydroxy-imidazolidin-4-one compounds as inhibitors of indoleamine 2,3-dioxygenase | 20170901 |
US-11053230-B2 | 3-hydroxy-imidazolidin-4-one compounds as inhibitors of indoleamine 2,3-dioxygenase | 20170901 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.02883473 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.02883473 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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