Benzaldehyde, 3-(chloromethyl)-4-hydroxy-

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Basic information

CAS: 53412-47-8
Standard SMILES: O=Cc1ccc(O)c(CCl)c1
InChIKey: QSHUXGTVMAQMSF-UHFFFAOYSA-N
Molecular formula: C8H7ClO2
Average molar mass: 170.59 g/mol
Monoisotopic mass: 170.0134572

Names & identifiers

Preferred name: Benzaldehyde, 3-(chloromethyl)-4-hydroxy-
IUPAC: 3-(chloromethyl)-4-hydroxybenzaldehyde
English name: Benzaldehyde, 3-(chloromethyl)-4-hydroxy-
Molecular formula: C8H7ClO2
Molecular weight: 170.59298

Names & synonyms

53412-47-8Benzaldehyde, 3-(chloromethyl)-4-hydroxy-DTXSID30427983RefChem:321172DTXCID003788173-(chloromethyl)-4-hydroxybenzaldehydeSCHEMBL9164890SCHEMBL29951702QSHUXGTVMAQMSF-UHFFFAOYSA-N4-Hydroxy-3-Chloromethylbenzaldehyde3-chloromethyl-4-hydroxy-benzaldehydeAKOS002666087

Database identifiers

CAS: 53412-47-8
PubChem CID: 7140230
DTXSID: DTXSID30427983

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

solubility: soluble in Acetone, Chloroform
form: Solid
color: Off-White

Chemistry & industry

Applications · 1 item

Uses3-(Chloromethyl)-4-hydroxybenzaldehyde is an intermediate in synthesizing Albuterol Dimer Ether (A514520), which is an impurity of Albuterol (Salbutamol) (A514500). Albuterol impurity F. Albuterol is a β2-adrenoceptor agonist. Bronchodilator; tocolytic.