Basic information
- CAS
38323-22-7- Standard SMILES
COC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)OC- InChIKey
WKQDFBKYIAEZEP-UHFFFAOYSA-N- Molecular formula
- C12H11NO6
- Average molar mass
- 265.22 g/mol
- Monoisotopic mass
- 265.05863707
Names & identifiers
- Preferred name
- Dimethyl (4-nitrobenzylidene)malonate
- IUPAC
- dimethyl 2-[(4-nitrophenyl)methylidene]propanedioate
- English name
- DIMETHYL (4-NITROBENZYLIDENE)MALONATE
- Molecular formula
- C12H11NO6
- Molecular weight
- 265.22
Names & synonyms
DIMETHYL (4-NITROBENZYLIDENE)MALONATERefChem:588095620-599-838323-22-7CHEMBL2148170dimethyl 2-[(4-nitrophenyl)methylene]propane-1,3-dioatePropanedioic acid, [(4-nitrophenyl)methylene]-, dimethyl esteracceptor-substituted olefinSCHEMBL2411843DTXSID803461102-Carbomethoxy-3-(4-nitrophenyl)propenoic acid methyl esterBDBM50391692
Show more names
(4-Nitrobenzylidene)malonic acid dimethyl ester2-(4-Nitrobenzylidene)malonic acid dimethyl ester[(4-Nitrophenyl)methylene]malonic acid dimethyl esterPropanedioic acid, 2-[(4-nitrophenyl)methylene]-, 1,3-dimethyl ester
SBB057684AKOS015894388dimethyl 2-(4-nitrobenzylidene) malonateDimethyl 2-(4-nitrobenzylidene)malonate #DB-264795ST51006817Dimethyl [(4-nitrophenyl)methylidene]propanedioate
Database identifiers
- CAS
38323-22-7- PubChem CID
- 609671
- DTXSID
DTXSID80346110- ChEMBL
CHEMBL2148170- EC Number
- 620-599-8
- Nikkaji
- J144.935D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Melting point
- 137 · 137-139 °C(lit.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
2 records
Compound notes
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