2-Chloro-5-ethyl-1,3,4-thiadiazole
Basic information
- CAS
71859-81-9- Standard SMILES
CCc1nnc(Cl)s1- InChIKey
CLUNMUKPUZKTQF-UHFFFAOYSA-N- Molecular formula
- C4H5ClN2S
- Average molar mass
- 148.61 g/mol
- Monoisotopic mass
- 147.986197
Names & identifiers
- Preferred name
- 2-Chloro-5-ethyl-1,3,4-thiadiazole
- IUPAC
- 2-chloro-5-ethyl-1,3,4-thiadiazole
- English name
- 2-chloro-5-ethyl-1,3,4-thiadiazole
- Molecular formula
- C4H5ClN2S
- Molecular weight
- 148.61
Names & synonyms
2-Chloro-5-ethyl-1,3,4-thiadiazoleDTXSID60291457RefChem:469294DTXCID60242601875-275-071859-81-92-Ethyl-5-chloro-1,3,4-thiadiazole1,3,4-Thiadiazole, 2-chloro-5-ethyl-MFCD170117311,3,4-Thiadiazole,2-chloro-5-ethyl-NSC75708SCHEMBL2600113
Show more names
SCHEMBL28140680CLUNMUKPUZKTQF-UHFFFAOYSA-NALBB-017811NSC-75708AKOS005145552AT189832-chloranyl-5-ethyl-1,3,4-thiadiazole2-Chloro-5-ethyl-1,3,4-thiadiazole #
Database identifiers
- CAS
71859-81-9- PubChem CID
- 253146
- DTXSID
DTXSID60291457- EC Number
- 875-275-0
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.4
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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 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%)
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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