2-Methoxybenzyl alcohol - CAS 612-16-8
Catalog: |
BB031005 |
Product Name: |
2-Methoxybenzyl alcohol |
CAS: |
612-16-8 |
Synonyms: |
(2-methoxyphenyl)methanol |
IUPAC Name: | (2-methoxyphenyl)methanol |
Description: | 2-Methoxybenzyl alcohol (CAS# 612-16-8) is used in the synthesis of antimycobacterial and antibacterial derivatives. Also used in the synthesis of phthalazines and analogues as benzodiazepine receptor ligands with specific activity. |
Molecular Weight: | 138.16 |
Molecular Formula: | C8H10O2 |
Canonical SMILES: | COC1=CC=CC=C1CO |
InChI: | InChI=1S/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3 |
InChI Key: | WYLYBQSHRJMURN-UHFFFAOYSA-N |
Boiling Point: | 248-250 °C |
Purity: | 99 % |
Density: | 1.039 g/cm3 |
Appearance: | Clear orange to light orange-brown liquid |
MDL: | MFCD00004611 |
LogP: | 1.18750 |
Vapor Pressure: | 0.00429 [mmHg] |
GHS Hazard Statement: | H302 (98.31%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21160913 | 20101111 | Intramolecular hydroxycarbene C-H-insertion: The curious case of (o-methoxyphenyl)hydroxycarbene | Beilstein journal of organic chemistry |
Complexity: | 93.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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