5-Methoxy-2-nitro-4-(trifluoromethyl)phenylacetonitrile - CAS 178896-77-0
Catalog: |
BB013512 |
Product Name: |
5-Methoxy-2-nitro-4-(trifluoromethyl)phenylacetonitrile |
CAS: |
178896-77-0 |
Synonyms: |
2-[5-methoxy-2-nitro-4-(trifluoromethyl)phenyl]acetonitrile |
IUPAC Name: | 2-[5-methoxy-2-nitro-4-(trifluoromethyl)phenyl]acetonitrile |
Description: | 5-Methoxy-2-nitro-4-(trifluoromethyl)phenylacetonitrile (CAS# 178896-77-0) is a useful research chemical. |
Molecular Weight: | 260.17 |
Molecular Formula: | C10H7F3N2O3 |
Canonical SMILES: | COC1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])CC#N |
InChI: | InChI=1S/C10H7F3N2O3/c1-18-9-4-6(2-3-14)8(15(16)17)5-7(9)10(11,12)13/h4-5H,2H2,1H3 |
InChI Key: | IANAREFPKLOIAF-UHFFFAOYSA-N |
Boiling Point: | 321.4 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.243 g/cm3 |
MDL: | MFCD11848554 |
LogP: | 3.21148 |
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 |
CA-3060583-A1 | Substituted indoline derivatives as dengue viral replication inhibitors | 20170522 |
CN-110691773-A | Substituted indoline derivatives as inhibitors of dengue virus replication | 20170522 |
EP-3630723-A1 | Substituted indoline derivatives as dengue viral replication inhibitors | 20170522 |
KR-20200009027-A | Substituted Indoline Derivatives as Dengue Virus Replication Inhibitors | 20170522 |
TW-201908291-A | Substituted porphyrin derivative as a dengue virus replication inhibitor (2) | 20170522 |
Complexity: | 358 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.04087658 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.04087658 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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