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3-[(2,6-Dichlorobenzyl)oxy]benzaldehyde

HCID 735484
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Basic information

CAS
328062-72-2
Standard SMILES
O=Cc1cccc(OCc2c(Cl)cccc2Cl)c1
InChIKey
BOBBJQABUQGRJP-UHFFFAOYSA-N
Molecular formula
C14H10Cl2O2
Average molar mass
281.1 g/mol
Monoisotopic mass
280.00578492

Names & identifiers

Preferred name
3-[(2,6-Dichlorobenzyl)oxy]benzaldehyde
IUPAC
3-[(2,6-dichlorophenyl)methoxy]benzaldehyde
English name
3-[(2,6-DICHLOROBENZYL)OXY]BENZALDEHYDE
Molecular formula
C14H10Cl2O2
Molecular weight
281.13

Names & synonyms

3-[(2,6-dichlorobenzyl)oxy]benzaldehyde328062-72-23-((2,6-Dichlorobenzyl)oxy)benzaldehydeDTXSID40352792RefChem:496488DTXCID103038573-[(2,6-dichlorophenyl)methoxy]benzaldehydeMFCD034224513-(2,6-Dichlorobenzyloxy)benzaldehydeSCHEMBL2208410BOBBJQABUQGRJP-UHFFFAOYSA-NALBB-001282
Show more names
Benzaldehyde, 3-[(2,6-dichlorophenyl)methoxy]-3-[(2,6-dichlorobenzyl)oxy]benzaldehyde(SALTDATA: FREE)
BBL016414SBB016367STK353566AKOS0002874883-(2,6-Dichlorobenzyloxyl)benzaldehydeDA-25421SY192642VS-05322

Database identifiers

CAS
328062-72-2
PubChem CID
735484
DTXSID
DTXSID40352792
EC Number
110-293-8

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
263

Physicochemical properties

Boiling point
412.9 · 412.9±35.0 °C(Predicted)
Density
1.34 · 1.340±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

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Related reactions

7 records
New reaction record
HRID 74381 reaction equation
HRID 74381As reactantuspto-grants-2014_09
HRID 875553 reaction equation
HRID 875553As reactantuspto-grants-2015_03
HRID 882448 reaction equation
HRID 882448As reactantuspto-grants-2015_03
HRID 1014626 reaction equation
HRID 1014626As reactantuspto-grants-2011_07
HRID 1523174 reaction equation
HRID 1523174As reactantuspto-grants-2015_07
HRID 2153293 reaction equation
HRID 2153293As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2300585 reaction equation
HRID 2300585As productuspto-grants-2002_12

Compound notes

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