2-Chloro-3,5-difluorophenol - CAS 206986-81-4
Catalog: |
BB016159 |
Product Name: |
2-Chloro-3,5-difluorophenol |
CAS: |
206986-81-4 |
Synonyms: |
2-chloro-3,5-difluorophenol |
IUPAC Name: | 2-chloro-3,5-difluorophenol |
Description: | 2-Chloro-3,5-difluorophenol (CAS# 206986-81-4) is a useful research chemical compound. |
Molecular Weight: | 164.54 |
Molecular Formula: | C6H3ClF2O |
Canonical SMILES: | C1=C(C=C(C(=C1F)Cl)O)F |
InChI: | InChI=1S/C6H3ClF2O/c7-6-4(9)1-3(8)2-5(6)10/h1-2,10H |
InChI Key: | ZQWULOHSTAQTKJ-UHFFFAOYSA-N |
Boiling Point: | 76 °C37 mmHg (lit.) |
Melting Point: | 45-46 °C (lit.) |
Purity: | 95 % |
Density: | 1.52 g/cm3 |
Appearance: | White to off-white crystalline solid |
MDL: | MFCD00075400 |
LogP: | 2.32380 |
GHS Hazard Statement: | H228 (100%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2016276947-A1 | Aryl dihydro-2h-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORy and the treatment of disease | 20150611 |
CA-2987289-A1 | Aryl dihydro-2h-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of ror.gamma. and the treatment of disease | 20150611 |
EP-3307738-A1 | Aryl dihydro-2h-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of rory and the treatment of disease | 20150611 |
JP-2018516963-A | Aryldihydro-2H-benzo [b] [1,4] oxazinesulfonamides and related compounds for use as agonists of RORγ and treatment of diseases | 20150611 |
KR-20180025894-A | Benzo [B] [1,4] oxazinesulfonamides and related compounds for use as agonists of RORY and the treatment of diseases | 20150611 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.9840487 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.9840487 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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