2-chloroethyl N-carbamoylcarbamate
Basic information
- CAS
88795-43-1- Standard SMILES
NC(=O)NC(=O)OCCCl- InChIKey
NWDWVJTZVDWYRG-UHFFFAOYSA-N- Molecular formula
- C4H7ClN2O3
- Average molar mass
- 166.56 g/mol
- Monoisotopic mass
- 166.0145198
Names & identifiers
- Preferred name
- 2-chloroethyl N-carbamoylcarbamate
- IUPAC
- 2-chloroethyl N-carbamoylcarbamate
- English name
- 2-chloroethyl N-carbamoylcarbamate
- Molecular formula
- C4H7ClN2O3
- Molecular weight
- 166.56
Names & synonyms
2-chloroethyl N-carbamoylcarbamate88795-43-1Allophanic acid, 2-chloroethyl esterCarbamic acid, (aminocarbonyl)-, 2-chloroethyl esterNIOSH/EY8540220NDA795432-Chloroethyl (aminocarbonyl)carbamateAKOS006240287CS-0251587EY85402200EN300-55280Z826530154
Show more names
Carbamic acid, (aminocarbonyl)-, 2-chloroethyl ester (9CI)
Database identifiers
- CAS
88795-43-1- PubChem CID
- 3027860
- EC Number
- 162-283-8
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 179 · 179-182 °C
- Density
- 1.399 · 1.399±0.06 g/cm3(Predicted)
- pka
- 9.3 · 9.30±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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