Basic information
- CAS
35207-75-1- Standard SMILES
CC(C)(C)OC(=O)C(=[N+]=[N-])C(=O)OC(C)(C)C- InChIKey
RXYMTVAHQNMICF-UHFFFAOYSA-N- Molecular formula
- C11H18N2O4
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.12665706
Names & identifiers
- Preferred name
- 1,3-Di-tert-butyl 2-diazopropanedioate
- IUPAC
- ditert-butyl 2-diazopropanedioate
- English name
- 2-Diazomalonic acid ditert-butyl ester
- Molecular weight
- 0
Names & synonyms
1,3-DI-TERT-BUTYL 2-DIAZOPROPANEDIOATERefChem:414209851-737-735207-75-1di-t-butyl diazomalonateditert-butyl 2-diazopropanedioateNSC 1386502-Diazomalonic acid ditert-butyl esterdi-t-butyl-2-diazomalonateDi-tert-butyl 2-diazomalonateSCHEMBL7786553DTXSID60450966
Show more names
Diazomalonic acid di-tert-butyl ester2-Diazomalonic acid di-tert-butyl ester2-Diazopropanedioic acid ditert-butyl ester1,3-Bis(1,1-dimethylethyl) 2-diazopropanedioate
RXYMTVAHQNMICF-UHFFFAOYSA-NNSC138650NSC-138650EN300-6504431(1E)-1,3-Di-tert-butoxy-2-diazonio-3-oxoprop-1-en-1-olate
Database identifiers
- CAS
35207-75-1- PubChem CID
- 5014600
- DTXSID
DTXSID60450966- EC Number
- 851-737-7
- Nikkaji
- J437.086D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H373-H226-H302-H336-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P403+P233-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07,GHS08
- Hazard statements
- H315-H335-H373-H226-H302-H336-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P403+P233-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P260-P314-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
Related reactions
5 records
Compound notes
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