3,4,5-Trimethoxybenzonitrile - CAS 1885-35-4
Catalog: |
BB014521 |
Product Name: |
3,4,5-Trimethoxybenzonitrile |
CAS: |
1885-35-4 |
Synonyms: |
3,4,5-trimethoxybenzonitrile |
IUPAC Name: | 3,4,5-trimethoxybenzonitrile |
Description: | 3,4,5-Trimethoxybenzonitrile (CAS# 1885-35-4) is a useful research chemical. |
Molecular Weight: | 193.20 |
Molecular Formula: | C10H11NO3 |
Canonical SMILES: | COC1=CC(=CC(=C1OC)OC)C#N |
InChI: | InChI=1S/C10H11NO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,1-3H3 |
InChI Key: | OSBQUSPVORCDCU-UHFFFAOYSA-N |
Boiling Point: | 180-185 ℃ (10 mmHg) |
Appearance: | White to off-white to beige crystalline powder or powder |
MDL: | MFCD00001803 |
LogP: | 1.58408 |
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, 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-111635334-A | Method for generating nitrile by catalyzing primary amine acceptor-free dehydrogenation through Ru complex | 20200713 |
CN-111606823-A | Method for converting aromatic aldehyde into aromatic nitrile by using inorganic ammonium as nitrogen source and promoted by sulfur powder | 20200624 |
CN-111018780-A | N-carbonyl-9, 10-dihydroacridine compound and application thereof | 20191112 |
CN-109438512-A | The preparation method of a kind of aromatic alkyl phosphorous oxide type compound | 20180904 |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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