4-Morpholinobenzaldehyde

HCID 291349CAS 1204-86-0
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1ccc(N2CCOCC2)cc1
InChIKey
FOAQOAXQMISINY-UHFFFAOYSA-N
Molecular formula
C11H13NO2
Average molar mass
191.23 g/mol
Monoisotopic mass
191.09462866

Names & identifiers

Preferred name
4-Morpholinobenzaldehyde
IUPAC
4-morpholin-4-ylbenzaldehyde
English name
4-Morpholinobenzaldehyde
Molecular formula
C11H13NO2
Molecular weight
191.23

Names & synonyms

4-Morpholinobenzaldehyde1204-86-04-(morpholin-4-yl)benzaldehydeDTXSID30303076RefChem:525789DTXCID60254209895-182-94-Morpholin-4-yl-benzaldehyde4-(4-Morpholinyl)benzaldehyde4-(4-Formylphenyl)morpholine4-morpholin-4-ylbenzaldehyde4-morpholinobenzenecarbaldehyde
Show more names
AKOS BC-2976AKOS BBS-00004794BUTTPARK 98\50-29IFLAB-BB F1274-0239TIMTEC-BB SBB000299SALOR-INT L481084-1EA
Benzaldehyde, 4-(4-morpholinyl)-MFCD00735826Methanone, 4-morpholinylphenyl-F1274-0239N-(4-formylphenyl)morpholineNSC156543p-morpholinobenzaldehyde4-morpholinylbenzaldehyde

Database identifiers

CAS
1204-86-0
PubChem CID
291349
DTXSID
DTXSID30303076
ChEMBL
CHEMBL1874107
EC Number
895-182-9
Nikkaji
J503.216D

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
65 · 65-69 °C
Boiling point
365.5 · 365.5±37.0 °C(Predicted)
Density
1.163 · 1.163±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
soluble in Methanol
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

wgk
3
hs_code
29349990
risk_code
36/37/38
Signal word
Danger
Symbol(GHS)
GHS05,GHS06,GHS08,GHS02
hazard_code
Xi

Chemistry & industry

Applications · 1 item

Uses4-Morpholinobenzaldehyde is mainly used as a raw material for organic synthesis. It can be used to prepare dihydrotetrazolopyrimidine derivatives (ethyl 5-methyl-7-(4-morpholinophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate), coumarin-based chalcone derivatives ((E)-3-[3-(4-(4-morpholinophenyl)acryloyl]-2H-chromen-2-one) and Ru(II) polypyridine complexes, among others.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

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Linked notes

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