4-Hydroxy-5-methoxy-1,3-benzenedicarboxaldehyde

HCID 18035
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
2931-90-0
Standard SMILES
COc1cc(C=O)cc(C=O)c1O
InChIKey
YVNRFQCFZVYDRO-UHFFFAOYSA-N
Molecular formula
C9H8O4
Average molar mass
180.16 g/mol
Monoisotopic mass
180.04225874

Names & identifiers

Preferred name
4-Hydroxy-5-methoxy-1,3-benzenedicarboxaldehyde
IUPAC
4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde
English name
4-hydroxy-5-methoxyisophthalaldehyde
Molecular formula
C9H8O4
Molecular weight
180.16

Names & synonyms

4-Hydroxy-5-methoxyisophthalaldehyde2931-90-05-Formylvanillin1,3-Benzenedicarboxaldehyde, 4-hydroxy-5-methoxy-F38S6MCP4FNSC-41797NSC-432984-Hydroxy-5-methoxy-1,3-benzenedicarboxaldehydeDTXSID70183556RefChem:1070785DTXCID10106047220-901-4
Show more names
Ferulic Acid Impurity 184-Hydroxy-5-methoxy-1,3-benzenedicarbaldehyde4-hydroxy-5-methoxy-1,3-benzenedimethylaldehyde
4-hydroxy-5-methoxybenzene-1,3-dicarbaldehyde1,3-Benzenedicarboxaldehyde,4-hydroxy-5-methoxy-ISOPHTHALDEHYDE, 4-HYDROXY-5-METHOXY-MFCD00513563Ferulic Acid Impurity 44-hydroxy-5-methoxy-benzene-1,3-dicarbaldehyde1, 4-hydroxy-5-methoxy-Dialdehyde vanillique [French]

Database identifiers

CAS
2931-90-0
PubChem CID
18035
DTXSID
DTXSID70183556
UNII
F38S6MCP4F
EC Number
220-901-4
Nikkaji
J13.773A

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
13

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
119 · 119-121 °C
Boiling point
308.2 · 308.2±42.0 °C(Predicted)
Density
1.332 · 1.332±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, stored under nitrogen
pka
6 · 6.00±0.23(Predicted)
Appearance
Light yellow to yellow Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers36 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

Related reactions

12 records
New reaction record

Compound notes

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