4-Methoxyphenylacetonitrile - CAS 104-47-2
Catalog: |
BB001399 |
Product Name: |
4-Methoxyphenylacetonitrile |
CAS: |
104-47-2 |
Synonyms: |
2-(4-methoxyphenyl)acetonitrile |
IUPAC Name: | 2-(4-methoxyphenyl)acetonitrile |
Description: | 4-Methoxyphenylacetonitrile (CAS# 104-47-2) is an intermediate in the synthesis of 2-Butyl-4,6-dihydroxybenzoic Acid (B699513) which is an intermediate in preparation of compounds for study in primin and miconidin biosynthesis routes in Primula obconica. |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | COC1=CC=C(C=C1)CC#N |
InChI: | InChI=1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3 |
InChI Key: | PACGLQCRGWFBJH-UHFFFAOYSA-N |
Boiling Point: | 286-287 °C |
Density: | 1.08 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00001919 |
LogP: | 1.76128 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113429303-A | Method for industrially producing venlafaxine hydrochloride | 20210726 |
CN-113248465-A | Synthetic method of biochanin A | 20210616 |
CN-112778143-A | Preparation method of venlafaxine amine impurity | 20210129 |
CN-112225716-A | Synthetic method of chickpea element A | 20201030 |
CN-112094230-A | Synthesis method of venlafaxine hydrochloride related substances | 20200821 |
PMID | Publication Date | Title | Journal |
22142246 | 20120111 | Activity of meadowfoam (Limnanthes alba) seed meal glucolimnanthin degradation products against soilborne pathogens | Journal of agricultural and food chemistry |
18995873 | 20081201 | Sinapis phylogeny and evolution of glucosinolates and specific nitrile degrading enzymes | Phytochemistry |
17910534 | 20080701 | Biotransformation of p-methoxyphenylacetonitrile into p-methoxyphenylacetic acid by resting cells of Bacillus subtilis | Biotechnology and applied biochemistry |
Complexity: | 150 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.068413911 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS