3-Morpholinobenzaldehyde

HCID 7164584
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Basic information

CAS
446866-87-1
Standard SMILES
O=Cc1cccc(N2CCOCC2)c1
InChIKey
LQORKFSMUOSSQM-UHFFFAOYSA-N
Molecular formula
C11H13NO2
Average molar mass
191.23 g/mol
Monoisotopic mass
191.09462866

Names & identifiers

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

Names & synonyms

3-morpholinobenzaldehyde446866-87-13-(Morpholin-4-yl)benzaldehyde3-morpholin-4-ylbenzaldehydeMFCD077728114-(3-Formylphenyl)morpholine3-morpholin-4-yl-benzaldehyde3-(4-morpholinyl)benzaldehydeSCHEMBL1443605SCHEMBL7757308SCHEMBL31247769DTXSID80428182
Show more names
3-Morpholinobenzaldehyde ISO 9001：2015 REACH
LQORKFSMUOSSQM-UHFFFAOYSA-NBenzaldehyde, 3-(4-morpholinyl)-3-(Morpholin-4-yl)benzaldehyde98%SBB0912913-(Morpholin-4-yl)benzaldehyde 98%AKOS002391968AC-2799CS-11021

Database identifiers

CAS
446866-87-1
PubChem CID
7164584
DTXSID
DTXSID80428182
EC Number
640-709-8

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
68 °C · 68 °C
Boiling point
357.9 · 357.9±37.0 °C(Predicted)
Density
1.163 · 1.163±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
solid
pka
3.8 · 3.80±0.40(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

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

Safety data

hs_code
2913000090
risk_code
21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
hazard_note
Harmful

Chemistry & industry

Applications

Uses3-Morphyrinylbenzaldehyde can be used as a pharmaceutical synthesis intermediate.

Upstream & downstream products

Suppliers55 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]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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