Dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate
Basic information
- CAS
826-34-6- Standard SMILES
COC(=O)[C@H]1C[C@H]1C(=O)OC- InChIKey
JBVOSZYUSFDYIN-SYDPRGILSA-N- Molecular formula
- C7H10O4
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.0579088
Names & identifiers
- Preferred name
- Dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate
- IUPAC
- cis-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate
- English name
- Dimethyl cis-1,2-cyclopropanedicarboxylate
- Molecular formula
- C7H10O4
- Molecular weight
- 158.15
Names & synonyms
826-34-6dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylateDTXSID80349101RefChem:1083665DTXCID00300173Dimethyl cis-1,2-cyclopropanedicarboxylatecis-Dimethyl cyclopropane-1,2-dicarboxylate1,2-dimethyl (1R,2S)-cyclopropane-1,2-dicarboxylate(cis)-1,2-Bis(methoxycarbonyl)cyclopropaneMFCD00062805dimethyl cis-cyclopropane-1,2-dicarboxylateCyclopropane-1,2-dicarboxylic acid dimethyl ester, Z
Show more names
cis-Dimethylcyclopropane dicarboxylateDiMethyl cis-1,2-clopropanedicarboxylateDIETHYL CIS-1,2-CYCLOPROPANEDICARBOXYLATEDimethylecis-1, 2-cyclopropanedicarboxylateDimethyl cis-1,2-cyclopropanedicarboxylate 98%Dimethyl cis-1,2-cyclopropanedicarboxylate,98%dimethyl (1S,2R)-cyclopropane-1,2-dicarboxylate
1,2-Cyclopropanedicarboxylic acid, dimethyl ester, (1R,2S)-rel-DIMETHYLCIS-1,2-CYCLOPROPANEDICARBOXYLATESCHEMBL974796AKOS0221850571885089-58-6AS-66024DB-000426CS-0054272
Database identifiers
- CAS
826-34-6- PubChem CID
- 642979
- DTXSID
DTXSID80349101- EC Number
- 689-250-5
- Nikkaji
- J79.976I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 112 °C · 112 °C (18 mmHg)
- Density
- 1.15 · 1.15
- refractive index
- 1.4445 · 1.4445-1.4465
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear colorless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 36 · 36/37/39-26
- HS Code
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]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29172090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesDimethyl cis-1,2-Cyclopropanedicarboxylate, is used for cis-trans isomerization of cyclopropyl radical trap catalyzed by extradiol catechol dioxygenases with evidence for semiquinone intermediate.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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