3-Phenoxypropionitrile - CAS 3055-86-5
Catalog: |
BB020641 |
Product Name: |
3-Phenoxypropionitrile |
CAS: |
3055-86-5 |
Synonyms: |
3-phenoxypropanenitrile |
IUPAC Name: | 3-phenoxypropanenitrile |
Description: | 3-Phenoxypropionitrile (CAS# 3055-86-5) is a useful research chemical. |
Molecular Weight: | 147.17 |
Molecular Formula: | C9H9NO |
Canonical SMILES: | C1=CC=C(C=C1)OCCC#N |
InChI: | InChI=1S/C9H9NO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,8H2 |
InChI Key: | IXAUFLAHUXISCH-UHFFFAOYSA-N |
Boiling Point: | 120 °C / 2 mmHg |
Density: | 1.052 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00013822 |
LogP: | 1.97908 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
WO-2019149812-A1 | Electrolyte composition for electrochemical cell for high-temperature applications | 20180201 |
CN-108084192-A | A kind of method that micro passage reaction carries out cyan-hydrolysis reaction | 20171228 |
CN-108084192-B | Method for carrying out cyano hydrolysis reaction by using microchannel reactor | 20171228 |
EP-3208863-A1 | Charge transporting semi-conducting material and electronic device comprising it | 20160222 |
Complexity: | 141 |
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: | 3 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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