3,5-Dimethoxybenzonitrile - CAS 19179-31-8
Catalog: |
BB014838 |
Product Name: |
3,5-Dimethoxybenzonitrile |
CAS: |
19179-31-8 |
Synonyms: |
3,5-dimethoxybenzonitrile |
IUPAC Name: | 3,5-dimethoxybenzonitrile |
Description: | 3,5-Dimethoxybenzonitrile (CAS# 19179-31-8) is a useful research chemical. |
Molecular Weight: | 163.17 |
Molecular Formula: | C9H9NO2 |
Canonical SMILES: | COC1=CC(=CC(=C1)C#N)OC |
InChI: | InChI=1S/C9H9NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,1-2H3 |
InChI Key: | NVTHWSJNXVDIKR-UHFFFAOYSA-N |
Boiling Point: | 261.4 ℃ at 760 mmHg |
Melting Point: | 85-89 ℃ |
Purity: | 95 % |
Density: | 1.12 g/cm3 |
Appearance: | White to beige or grey crystalline powder |
MDL: | MFCD00001804 |
LogP: | 1.57548 |
GHS Hazard Statement: | H302 (97.67%): 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-112961079-A | Method for dehydrating primary amide into nitriles by cobalt catalysis | 20210304 |
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 |
WO-2020102901-A1 | Synthetic antibacterial compounds and uses thereof | 20181121 |
CN-108863894-B | Method for directly synthesizing indole from nitrile | 20180810 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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