4,6-Dichloro-5-nitro-2-(trifluoromethyl)pyrimidine - CAS 715-46-8
Catalog: |
BB034422 |
Product Name: |
4,6-Dichloro-5-nitro-2-(trifluoromethyl)pyrimidine |
CAS: |
715-46-8 |
Synonyms: |
4,6-dichloro-5-nitro-2-(trifluoromethyl)pyrimidine; 4,6-dichloro-5-nitro-2-(trifluoromethyl)pyrimidine |
IUPAC Name: | 4,6-dichloro-5-nitro-2-(trifluoromethyl)pyrimidine |
Description: | 4,6-Dichloro-5-nitro-2-(trifluoromethyl)pyrimidine (CAS# 715-46-8) is a useful research chemical. |
Molecular Weight: | 261.97 |
Molecular Formula: | C5Cl2F3N3O2 |
Canonical SMILES: | C1(=C(N=C(N=C1Cl)C(F)(F)F)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C5Cl2F3N3O2/c6-2-1(13(14)15)3(7)12-4(11-2)5(8,9)10 |
InChI Key: | YJCAJZCDJPUTJQ-UHFFFAOYSA-N |
Boiling Point: | 249.7 °C at 760 mmHg |
Density: | 1.805 g/cm3 |
LogP: | 3.23360 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-101796779-B1 | Dihydropteridin-one derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for use in preventing or treating PI3 kinase related diseases | 20151222 |
KR-20170074380-A | Dihydropteridin-one derivatives or pharmaceutically acceptable salts thereof, preparation method thereof and pharmaceutical composition for use in preventing or treating PI3 kinase related diseases | 20151222 |
CA-2952339-A1 | 3-substituted 2-amino-indole derivatives | 20140625 |
EP-3160965-A1 | 3-substituted 2-amino-indole derivatives | 20140625 |
JP-2017519023-A | 3-substituted 2-amino-indole derivatives | 20140625 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.9319661 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.9319661 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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