3,5-Dimethyl-4-hydroxybenzonitrile - CAS 4198-90-7
Catalog: |
BB025003 |
Product Name: |
3,5-Dimethyl-4-hydroxybenzonitrile |
CAS: |
4198-90-7 |
Synonyms: |
4-hydroxy-3,5-dimethylbenzonitrile |
IUPAC Name: | 4-hydroxy-3,5-dimethylbenzonitrile |
Description: | Intermediate in the preparation of HIV replication inhibitors. |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | CC1=CC(=CC(=C1O)C)C#N |
InChI: | InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3 |
InChI Key: | WFYGXOWFEIOHCZ-UHFFFAOYSA-N |
Boiling Point: | 310.6 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.13 g/cm3 |
MDL: | MFCD00221716 |
LogP: | 1.88068 |
GHS Hazard Statement: | H300 (86.67%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113480483-A | Preparation method of etravirine chloro impurities | 20210817 |
CA-3097881-A1 | Leuco colorants as bluing agents in laundry care composition | 20201103 |
CN-112028836-A | Diarylpyrimidine derivative containing six-membered nitrogen heterocycle and preparation method and application thereof | 20200909 |
CN-111875548-A | 5-position aromatic ring substituted diaryl pyrimidine derivative and preparation method and application thereof | 20200716 |
CN-111732570-A | Imidazolinone with antiviral activity and its synthesis and application | 20200706 |
PMID | Publication Date | Title | Journal |
20677758 | 20100825 | Cyanation of arenes via iridium-catalyzed borylation | Journal of the American Chemical Society |
20024461 | 20100107 | Polarizable continuum model associated with the self-consistent-reaction field for molecular adsorbates at the interface | Physical chemistry chemical physics : PCCP |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 44 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS