Basic information
- CAS
55586-68-0- Standard SMILES
CCN(CC)c1ccc(C=O)c(OC)c1- InChIKey
FJBDMJZBYSCLLJ-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 4-(Diethylamino)-2-methoxybenzaldehyde
- IUPAC
- 4-(diethylamino)-2-methoxybenzaldehyde
- English name
- 4-DIETHYLAMINO-2-METHOXY-BENZALDEHYDE
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
4-(diethylamino)-2-methoxybenzaldehyde55586-68-0Benzaldehyde, 4-(diethylamino)-2-methoxy-DTXSID50354742RefChem:97421DTXCID20305802850-122-0FJBDMJZBYSCLLJ-UHFFFAOYSA-N4-DIETHYLAMINO-2-METHOXYBENZALDEHYDE4-Diethylamino-2-methoxy-benzaldehydeMFCD022774052-Methoxy-4-(diethylamino)benzaldehyde
Show more names
4-Diethylamino-2-methoxy-benzaldehyde in stock Factory5-(Diethylamino)-2-formylanisole, N,N-Diethyl-4-formyl-3-methoxyaniline
Cambridge id 6442543Oprea1_486341Oprea1_664630MLS000711797SCHEMBL2950989CHEMBL1538172TIMTEC-BB SBB011177HMS2649B03
Database identifiers
- CAS
55586-68-0- PubChem CID
- 780883
- DTXSID
DTXSID50354742- ChEMBL
CHEMBL1538172- EC Number
- 850-122-0
- Nikkaji
- J503.131A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 73 · 73-76 °C
- Boiling point
- 334.8 · 334.8±27.0 °C(Predicted)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 2.94 · 2.94±0.42(Predicted)
- Appearance
- Light yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HazardClass
- IRRITANT
- HS Code
- 2922390090 · 2922390090
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
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.
Safety data
- hs_code
- 2922390090
- risk_code
- 25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers56 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Sirichem (Zhangjiakou) Sci-Tech.Co.,Ltd.+86-15831567206
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司
Related reactions
2 records
Compound notes
Loading…