4,5-Dimethoxy-1-cyanobenzocyclobutane - CAS 35202-54-1
Catalog: |
BB053749 |
Product Name: |
4,5-Dimethoxy-1-cyanobenzocyclobutane |
CAS: |
35202-54-1 |
Synonyms: |
1-Cyano-4,5-dimethoxybenzocyclobutene; 4,5-Dimethoxy-1-benzocyclobutenecarbonitrile; 4,5-Dimethoxy-1-cyanobenzocyclobutane; 1,2-Dihydro-4,5-dimethoxybenzocyclobutene-1-carbonitrile; NSC 154410 |
IUPAC Name: | 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile |
Description: | 4,5-Dimethoxy-1-cyanobenzocyclobutane is a highly potent chemical compound embraced in the research of a myriad of afflictions like malignant neoplasms and intricate neurological maladies. |
Molecular Weight: | 189.21 |
Molecular Formula: | C11H11NO2 |
Canonical SMILES: | COC1=C(C=C2C(CC2=C1)C#N)OC |
InChI: | InChI=1S/C11H11NO2/c1-13-10-4-7-3-8(6-12)9(7)5-11(10)14-2/h4-5,8H,3H2,1-2H3 |
InChI Key: | HJTHVTHXHHFXMJ-UHFFFAOYSA-N |
Boiling Point: | 345.9±42.0 °C at 760 mmHg |
Melting Point: | 83-85°C |
Purity: | >98% by HPLC |
Density: | 1.2±0.1 g/cm3 |
Solubility: | Soluble in DMSO, Methanol |
Appearance: | White to Pale Yellow Powder |
Storage: | Store at 2-8°C |
GHS Hazard Statement: | H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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