3-(4-Chlorophenoxy)benzaldehyde

HCID 616015

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Basic information

CAS: 69770-20-3
Standard SMILES: O=Cc1cccc(Oc2ccc(Cl)cc2)c1
InChIKey: MYQFRCYBOOWGJQ-UHFFFAOYSA-N
Molecular formula: C13H9ClO2
Average molar mass: 232.66 g/mol
Monoisotopic mass: 232.02910721

Names & identifiers

Preferred name: 3-(4-Chlorophenoxy)benzaldehyde
IUPAC: 3-(4-chlorophenoxy)benzaldehyde
English name: 3-(4-Chlorophenoxy)benzaldehyde
Molecular formula: C13H9ClO2
Molecular weight: 232.66

Names & synonyms

3-(4-Chlorophenoxy)benzaldehyde69770-20-3m-(p-Chlorophenoxy)benzaldehydeMFCD00003357Benzaldehyde, 3-(4-chlorophenoxy)-3-(4-chlorophenoxy)-benzaldehydeHPE7KQ7BL4EINECS 274-108-3UNII-HPE7KQ7BL4SCHEMBL415226SCHEMBL30715071DTXSID20220066

Show more names

3-(4-Chlorophenoxy)benzaldehyde,98%3-(4-CHLOROPHENOXY)BENZALDEHYDE 98%

3-(4-chloro-phenoxy)-benzaldehyde3-(4-Chlorophenoxy)benzaldehyde #AKOS009028818SB853803-(4-Chlorophenoxy)benzaldehyde, 97%AS-60767SY113600DB-021646

Database identifiers

CAS: 69770-20-3
PubChem CID: 616015
DTXSID: DTXSID20220066
UNII: HPE7KQ7BL4
EC Number: 274-108-3
Nikkaji: J150.116J

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 224

Physicochemical properties

Boiling point: 125 °C/0.1 · 125 °C/0.1 mmHg (lit.)
Density: 1.213 g/mL · 1.213 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.608(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 0 · Store at 0-8 °C
InChI: 1S/C13H9ClO2/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-9H
InChIKey: MYQFRCYBOOWGJQ-UHFFFAOYSA-N
SMILES: Clc1ccc(Oc2cccc(C=O)c2)cc1
FDA UNII: 7 KQ7BL4 · HPE7KQ7BL4
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: Eyeshields, Gloves
WGK Germany: 3 · 3
Storage Class: 10 · 10 - Combustible liquids