Basic information
- CAS
13025-29-1- Standard SMILES
O=C=NCCOC(=O)OCCN=C=O- InChIKey
DZYFUUQMKQBVBY-UHFFFAOYSA-N- Molecular formula
- C7H8N2O5
- Average molar mass
- 200.15 g/mol
- Monoisotopic mass
- 200.04332136
Names & identifiers
- Preferred name
- Bis(2-isocyanatoethyl)carbonate
- IUPAC
- bis(2-isocyanatoethyl) carbonate
- English name
- Bis(2-isocyanatoethyl) carbonate
- Molecular formula
- C7H8N2O5
- Molecular weight
- 200.15
Names & synonyms
bis(2-isocyanatoethyl) carbonateBis(2-isocyanatoethyl)carbonateRefChem:568773631-329-313025-29-1Ethanol, 2-isocyanato-, carbonate (2:1) (ester)2-Isocyanatoethanol carbonate (2:1) (ester)BRN 2263947CARBONIC ACID, BIS(2-ISOCYANATOETHYL) ESTERSCHEMBL111548DTXSID1073999bis(2-isocyanato-ethyl)carbonate
Show more names
Ethanol, 2-isocyanato-, 1,1'-carbonate
DZYFUUQMKQBVBY-UHFFFAOYSA-N
Database identifiers
- CAS
13025-29-1- PubChem CID
- 25619
- DTXSID
DTXSID1073999- EC Number
- 631-329-3
- Nikkaji
- J33.958J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 337.86 °C · 337.86°C (rough estimate)
- Density
- 1.5265 · 1.5265 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- EPA Substance Registry System
- 2 · Ethanol, 2-isocyanato-, carbonate (2:1) (ester) (13025-29-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H332-H315-H312
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
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, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302-H332-H315-H312
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
Related reactions
1 records
Compound notes
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