3,5-Dimethylphenylacetonitrile - CAS 39101-54-7
Catalog: |
BB023838 |
Product Name: |
3,5-Dimethylphenylacetonitrile |
CAS: |
39101-54-7 |
Synonyms: |
2-(3,5-dimethylphenyl)acetonitrile; 2-(3,5-dimethylphenyl)acetonitrile |
IUPAC Name: | 2-(3,5-dimethylphenyl)acetonitrile |
Description: | 3,5-Dimethylphenylacetonitrile (CAS# 39101-54-7) is a compound useful in organic synthesis. |
Molecular Weight: | 145.20 |
Molecular Formula: | C10H11N |
Canonical SMILES: | CC1=CC(=CC(=C1)CC#N)C |
InChI: | InChI=1S/C10H11N/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7H,3H2,1-2H3 |
InChI Key: | LMUKNQSVBFEUKR-UHFFFAOYSA-N |
Boiling Point: | 170 ℃ / 20 mmHg |
Density: | 0.979 g/cm3 |
Solubility: | Insoluble in water |
Appearance: | White solid |
MDL: | MFCD00060304 |
LogP: | 2.36948 |
GHS Hazard Statement: | H302 (83.33%): 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-110026244-B | Alpha alkylation reaction catalyst of nitrile and application thereof | 20190422 |
WO-2020048829-A1 | 3,9-diazaspiro[5.5]undecane compounds | 20180903 |
TW-202024083-A | 3,9-diazaspiro[5.5]undecane compounds | 20180903 |
CN-108610297-B | Preparation method of anastrozole derivative | 20180413 |
WO-2017158147-A1 | Pyrimidone derivatives and their use in the treatment, amelioration or prevention of a viral disease | 20160318 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.089149355 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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