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4-(Difluoromethoxy)-3,5-dimethoxybenzaldehyde

HCID 710598
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
446270-61-7
Standard SMILES
COc1cc(C=O)cc(OC)c1OC(F)F
InChIKey
CDASCEKDGKTDOL-UHFFFAOYSA-N
Molecular formula
C10H10F2O4
Average molar mass
232.18 g/mol

Names & identifiers

Preferred name
4-(Difluoromethoxy)-3,5-dimethoxybenzaldehyde
IUPAC
4-(difluoromethoxy)-3,5-dimethoxybenzaldehyde
English name
4-(Difluoromethoxy)-3,5-dimethoxybenzaldehyde
Molecular formula
C10H10F2O4
Molecular weight
232.18

Names & synonyms

4-(difluoromethoxy)-3,5-dimethoxybenzaldehyde446270-61-7MFCD02656321Cambridge id 7182384SCHEMBL138188AKOS000297098CS-0230736EN300-105414-(difluoromethoxy)-3,5-dimethoxy-benzaldehydeG56245SR-01000253735SR-01000253735-1
Show more names
Benzaldehyde, 4-(difluoromethoxy)-3,5-dimethoxy-
Z56347429

Database identifiers

CAS
446270-61-7
PubChem CID
710598
EC Number
139-902-5

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
16
Formal charge
0
Complexity
211

Physicochemical properties

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

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

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

SyringaldehydeSodium chlorodifluoroacetate

Suppliers

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Related reactions

2 records
New reaction record
HRID 468693 reaction equation
HRID 468693As productuspto-grants-2014_01
HRID 468694 reaction equation
HRID 468694As reactantuspto-grants-2014_01

Compound notes

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