3-Fluoro-5-(trifluoromethyl)phenylacetonitrile - CAS 239087-12-8
Catalog: |
BB018240 |
Product Name: |
3-Fluoro-5-(trifluoromethyl)phenylacetonitrile |
CAS: |
239087-12-8 |
Synonyms: |
2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile; 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile |
IUPAC Name: | 2-[3-fluoro-5-(trifluoromethyl)phenyl]acetonitrile |
Description: | 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile (CAS# 239087-12-8) is a useful research chemical compound. |
Molecular Weight: | 203.14 |
Molecular Formula: | C9H5F4N |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)F)CC#N |
InChI: | InChI=1S/C9H5F4N/c10-8-4-6(1-2-14)3-7(5-8)9(11,12)13/h3-5H,1H2 |
InChI Key: | HKCQBEWZJZKBQM-UHFFFAOYSA-N |
Boiling Point: | 205.8 °C at 760 mmHg |
Density: | 1.324 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00061181 |
LogP: | 2.91058 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] |
Precautionary Statement: | P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
TW-201307294-A | Heterocyclic compound and uses thereof | 20101229 |
AU-2010359001-A1 | Novel TRPV3 modulators | 20100810 |
EP-2603490-A1 | Novel trpv3 modulators | 20100810 |
KR-20130097748-A | New TRP3 regulator | 20100810 |
US-2013150409-A1 | Novel trpv3 modulators | 20100810 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.03581181 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.03581181 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS