4,4'-(Propane-1,3-diylbis(oxy))dibenzaldehyde

HCID 6422912CAS 3722-80-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1ccc(OCCCOc2ccc(C=O)cc2)cc1
InChIKey
HRZNTEQVUNFFHD-UHFFFAOYSA-N
Molecular formula
C17H16O4
Average molar mass
284.31 g/mol
Monoisotopic mass
284.10485899

Names & identifiers

Preferred name
4,4'-(Propane-1,3-diylbis(oxy))dibenzaldehyde
IUPAC
4-[3-(4-formylphenoxy)propoxy]benzaldehyde
English name
4,4’-(1,3-Propanediyl)dioxydibenzaldhyde
Molecular formula
C17H16O4
Molecular weight
284.31

Names & synonyms

4,4'-(propane-1,3-diylbis(oxy))dibenzaldehyde3722-80-34-[3-(4-formylphenoxy)propoxy]benzaldehyde4,4'-(1,3-Propanediyl)dioxydibenzaldhydeMFCD000210781,3-Bis(4-formylphenoxy)propane4,4-(1,3-Propanediyl)dioxydibenzaldhyde4,4'-[propane-1,3-diylbis(oxy)]dibenzaldehydeSCHEMBL5090074CHEMBL2380530DTXSID204236711,3-bis(4-formyl-phenoxy)propane
Show more names
-(1,3-Propanediyl)dioxydibenzaldhyde4,4’-(1,3-Propanediyl)dioxydibenzaldhydeBenzaldehyde, 4,4'-[1,3-propanediylbis(oxy)]bis-
STL171294AKOS005367828DS-53294,4'-(1,3-propanediyl)dioxydibenzaldhydSY1085404,4'-(Propane-1,3-diyldioxy)dibenzaldehydeCS-0158310ST45156776

Database identifiers

CAS
3722-80-3
PubChem CID
6422912
DTXSID
DTXSID20423671
ChEMBL
CHEMBL2380530
Nikkaji
J1.843.562D

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
21

Physicochemical properties

Melting point
125 · 125-126 °C(Solvent: Benzene; Hexane)
Boiling point
478.61 · 478.610±25.00 °C(Press: 760.00 Torr)(predicted)
Density
1.194 · 1.194±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers18 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611

Related reactions

1 records
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Linked notes

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