1-(2-Chloroethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one
Basic information
- CAS
69049-03-2- Standard SMILES
CCn1nnn(CCCl)c1=O- InChIKey
CKOJGMKAXXTOLV-UHFFFAOYSA-N- Molecular formula
- C5H9ClN4O
- Average molar mass
- 176.6 g/mol
- Monoisotopic mass
- 176.0464886
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one
- IUPAC
- 1-(2-chloroethyl)-4-ethyltetrazol-5-one
- English name
- 1-(2-chloroethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-one
- Molecular formula
- C5H9ClN4O
- Molecular weight
- 176.6
Names & synonyms
69049-03-21-(2-Chloroethyl)-4-ethyl-1,4-dihydro-5H-tetrazol-5-oneEINECS 273-845-8DTXSID50988788RefChem:74114DTXCID301415922273-845-81-(2-chloroethyl)-4-ethyltetrazol-5-one1-(2-chloroethyl)-4-ethyl-1H-tetrazol-5(4H)-one1-(2-CHLOROETHYL)-4-ETHYL-4,5-DIHYDRO-1H-1,2,3,4-TETRAZOL-5-ONEMFCD09907794SCHEMBL6122876
Show more names
1-(2-Chloroethyl)-4-ethyl...5H-Tetrazol-5-one, 1-(2-chloroethyl)-4-ethyl-1,4-dihydro-
5H-Tetrazol-5-one,1-(2-chloroethyl)-4-ethyl-1,4-dihydro-AKOS006311784PB23743NS00062003F325050
Database identifiers
- CAS
69049-03-2- PubChem CID
- 3017906
- DTXSID
DTXSID50988788- EC Number
- 273-845-8
- Nikkaji
- J332.797C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 82 °C · 82 °C(Press: 1 Torr)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- -2.04 · -2.04±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2933998090 · 2933998090
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)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
4 records
Compound notes
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