2-Hydroxymethyl-1,4-benzodioxan - CAS 3663-82-9
Catalog: |
BB023026 |
Product Name: |
2-Hydroxymethyl-1,4-benzodioxan |
CAS: |
3663-82-9 |
Synonyms: |
2,3-dihydro-1,4-benzodioxin-3-ylmethanol |
IUPAC Name: | 2,3-dihydro-1,4-benzodioxin-3-ylmethanol |
Description: | 2-Hydroxymethyl-1,4-benzodioxan (CAS# 3663-82-9) is a substituted benzodioxane with antihepatotoxic activity. 2-Hydroxymethyl-1,4-benzodioxane is used as an intermediate in the preparation of Guanoxan (G839500). |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | C1C(OC2=CC=CC=C2O1)CO |
InChI: | InChI=1S/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2 |
InChI Key: | GWQOQQVKVOOHTI-UHFFFAOYSA-N |
Boiling Point: | 286 °C |
Melting Point: | 85-90 °C |
Purity: | 95 % |
Density: | 1.213 g/cm3 |
Appearance: | White to light yellow crystalline powder |
MDL: | MFCD00006822 |
LogP: | 0.81870 |
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] |
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 |
WO-2021123394-A1 | G protein-coupled receptor modulators and a pharmaceutical composition | 20191220 |
CN-110724140-A | Dihydroquinozinone carboxylic acid compound and application thereof | 20191104 |
CN-110724140-B | Dihydroquinozinone carboxylic acid compound and application thereof | 20191104 |
CN-112079830-A | Fused ring-containing derivative inhibitor, preparation method and application thereof | 20190614 |
CN-109824646-A | A kind of method of the pure 2- methylol -1,4- benzodioxane of synthesizing optical and its derivative | 20190329 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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