3-Butoxypropionitrile - CAS 6959-71-3
Catalog: |
BB033883 |
Product Name: |
3-Butoxypropionitrile |
CAS: |
6959-71-3 |
Synonyms: |
3-butoxypropanenitrile |
IUPAC Name: | 3-butoxypropanenitrile |
Description: | 3-Butoxypropionitrile (CAS# 6959-71-3) is a useful research chemical. |
Molecular Weight: | 127.18 |
Molecular Formula: | C7H13NO |
Canonical SMILES: | CCCCOCCC#N |
InChI: | InChI=1S/C7H13NO/c1-2-3-6-9-7-4-5-8/h2-4,6-7H2,1H3 |
InChI Key: | AWVNJBFNHGQUQU-UHFFFAOYSA-N |
Boiling Point: | 206 °C |
Flash Point: | 89 °C |
Purity: | > 96.0 % (GC) |
Density: | 0.925 g/cm3 |
Appearance: | Colorless to light yellow clear liquid |
Storage: | Store under inert gas |
MDL: | MFCD00045643 |
LogP: | 1.71678 |
Refractive Index: | 1.42 |
GHS Hazard Statement: | H315 (97.56%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021106534-A1 | Secondary battery | 20191127 |
CN-109841794-A | Electrode plates and electrochemical appliance comprising the electrode plates | 20190329 |
CN-109980177-A | Electrode plates and electrochemical appliance comprising the electrode plates | 20190329 |
CN-110010902-A | Electrode plates and electrochemical appliance comprising the electrode plates | 20190329 |
CN-109841831-A | Negative electrode material and cathode and electrochemical appliance comprising the negative electrode material | 20190321 |
Complexity: | 92.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.099714038 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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