3,5-Bis(trifluoromethyl)phenylacetonitrile - CAS 85068-32-2
Catalog: |
BB037451 |
Product Name: |
3,5-Bis(trifluoromethyl)phenylacetonitrile |
CAS: |
85068-32-2 |
Synonyms: |
2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile |
IUPAC Name: | 2-[3,5-bis(trifluoromethyl)phenyl]acetonitrile |
Description: | 3,5-Bis(trifluoromethyl)phenylacetonitrile (CAS# 85068-32-2) is a useful research chemical. |
Molecular Weight: | 253.14 |
Molecular Formula: | C10H5F6N |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC#N |
InChI: | InChI=1S/C10H5F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1H2 |
InChI Key: | YXGWYBUKRTYHJM-UHFFFAOYSA-N |
Boiling Point: | 195.4 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.42 g/cm3 |
Solubility: | Immiscible |
Appearance: | Clear colorless to pale yellow liquid |
MDL: | MFCD00009904 |
LogP: | 3.79028 |
GHS Hazard Statement: | H302 (95.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111499573-A | Pressure-induced color-changing fluorescent molecule and preparation method thereof | 20200509 |
WO-2020253756-A1 | Fluorescent red-emissive compounds for cellular organelle imaging | 20190618 |
WO-2020048830-A1 | 5-aryl-3,9-diazaspiro[5.5]undecan-2-one compounds | 20180903 |
CN-108912012-A | A kind of power causes ratio off-color material and preparation method thereof | 20180726 |
CN-107033283-B | A kind of Mitochondrially targeted fluorescent polymer and preparation method and application of near-infrared laser driving | 20170504 |
PMID | Publication Date | Title | Journal |
22149176 | 20120117 | Quinoacridine derivatives with one-dimensional aggregation-induced red emission property | Langmuir : the ACS journal of surfaces and colloids |
Complexity: | 287 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.03261814 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.03261814 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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