4-Fluorophenylacetaldehyde dimethylacetal - CAS 121039-98-3
Catalog: |
BB005023 |
Product Name: |
4-Fluorophenylacetaldehyde dimethylacetal |
CAS: |
121039-98-3 |
Synonyms: |
1-(2,2-dimethoxyethyl)-4-fluorobenzene |
IUPAC Name: | 1-(2,2-dimethoxyethyl)-4-fluorobenzene |
Description: | 4-Fluorophenylacetaldehyde dimethylacetal (CAS# 121039-98-3) is a useful research chemical. |
Molecular Weight: | 184.21 |
Molecular Formula: | C10H13FO2 |
Canonical SMILES: | COC(CC1=CC=C(C=C1)F)OC |
InChI: | InChI=1S/C10H13FO2/c1-12-10(13-2)7-8-3-5-9(11)6-4-8/h3-6,10H,7H2,1-2H3 |
InChI Key: | ICDKNFHCKJLHMN-UHFFFAOYSA-N |
LogP: | 1.98710 |
GHS Hazard Statement: | H302 (100%): 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 |
Publication Number | Title | Priority Date |
DE-4234766-A1 | Process for the isolation or purification of aryl-acetaldehyde acetals | 19921015 |
DE-4234766-C2 | Process for the isolation or purification of aryl acetaldehyde acetals | 19921015 |
JP-H06211721-A | Method for purifying 2-arylacetaldehyde acetal | 19921015 |
DE-4220939-A1 | Process for the preparation of 2-aryl-ethanols | 19920626 |
JP-3447325-B2 | Method for producing 2-aryl-ethanol | 19920626 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.08995782 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.08995782 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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