Basic information
- CAS
15284-27-2- Standard SMILES
ClCCn1cnnn1- InChIKey
XHUIIORNGYDUIT-UHFFFAOYSA-N- Molecular formula
- C3H5ClN4
- Average molar mass
- 132.55 g/mol
- Monoisotopic mass
- 132.0202739
Names & identifiers
- Preferred name
- 1-(2-chloroethyl)-1H-1,2,3,4-tetrazole
- IUPAC
- 1-(2-chloroethyl)tetrazole
Names & synonyms
15284-27-21-(2-chloroethyl)-1H-1,2,3,4-tetrazoleRefChem:421804838-557-41-(2-Chloroethyl)-1H-tetrazole1-(2-chloroethyl)tetrazole1-(2-Chloro-ethyl)-1H-tetrazoleSCHEMBL28609350QAA28427AKOS006381949EN300-364679
Database identifiers
- CAS
15284-27-2- PubChem CID
- 55301045
- EC Number
- 838-557-4
- Nikkaji
- J1.578.376A
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.3
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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…