Basic information
- CAS
35234-88-9- Standard SMILES
CCOC(=O)/C(C#N)=C(\C#N)C(=O)OCC- InChIKey
WOLPMKLWSJWZNO-BQYQJAHWSA-N- Molecular formula
- C10H10N2O4
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.0640568
Names & identifiers
- Preferred name
- 1,4-Diethyl (2E)-2,3-dicyano-2-butenedioate
- IUPAC
- diethyl (E)-2,3-dicyanobut-2-enedioate
- English name
- DIETHYL DICYANOFUMARATE, 97
- Molecular formula
- C10H10N2O4
- Molecular weight
- 222.2
Names & synonyms
Diethyl 2,3-dicyanofumarateEINECS 252-453-01,4-Diethyl (2E)-2,3-dicyano-2-butenedioateDTXSID301262232RefChem:416746DTXCID501692920252-453-0DIETHYL DICYANOFUMARATE35234-88-9diethyl (E)-2,3-dicyanobut-2-enedioatediethyl (2E)-2,3-dicyanobut-2-ene-1,4-dioate(E)-Diethyl 2,3-dicyanofumarate
Show more names
DIETHYL DICYANOFUMARATE, 972,3-Dicyanofumaric acid diethyl ester2-Butenedioic acid, 2,3-dicyano-, 1,4-diethyl ester, (2E)-
B9V4T4GNN6SCHEMBL17547101,4-DIETHYL (2E)-2,3-DICYANOBUT-2-ENEDIOATEWOLPMKLWSJWZNO-BQYQJAHWSA-NSBB000611AKOS0010255551,4-Diethyl 2,3-dicyano-2-butenedioate62381-06-0
Database identifiers
- CAS
35234-88-9、62381-06-0- PubChem CID
- 5324722
- DTXSID
DTXSID301262232- UNII
- B9V4T4GNN6
- EC Number
- 252-453-0
- Nikkaji
- J289.944B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Melting point
- 114 · 114-118 °C(lit.)
- Boiling point
- 337.3 · 337.3±42.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 26 · 26-27-36-36/39
- RIDADR
- 3439 · UN3439
- HazardClass
- 6.1 · 6.1
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 (100%)
Safety data
- ridadr
- UN3439
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-27-36-36/39
- hazard_class
- 6.1
- Hazard statements
- H302-H312-H332
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Suppliers2 total
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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