Ethyl 3-chloromethyl-[1,2,4]oxadiazole-5-carboxylate
Basic information
- CAS
25977-19-9- Standard SMILES
CCOC(=O)c1nc(CCl)no1- InChIKey
JIKCEFWHWIEUHQ-UHFFFAOYSA-N- Molecular formula
- C6H7ClN2O3
- Average molar mass
- 190.58 g/mol
- Monoisotopic mass
- 190.0145198
Names & identifiers
- Preferred name
- Ethyl 3-chloromethyl-[1,2,4]oxadiazole-5-carboxylate
- IUPAC
- ethyl 3-(chloromethyl)-1,2,4-oxadiazole-5-carboxylate
- English name
- 3-Chloromethyl-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester
- Molecular formula
- C6H7ClN2O3
- Molecular weight
- 190.58
Names & synonyms
1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID, 3-(CHLOROMETHYL)-, ETHYL ESTEREthyl 3-chloromethyl-[1,2,4]oxadiazole-5-carboxylateEthyl 3-chloromethyl-(1,2,4)oxadiazole-5-carboxylateRefChem:594928692-200-525977-19-9ethyl 3-(chloromethyl)-1,2,4-oxadiazole-5-carboxylate3-CHLOROMETHYL-[1,2,4]OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTERMFCD09749852Ethyl 3-chloromethyl-[1,2,4]oxadiazole--5-carboxylateSCHEMBL2254343DTXSID50650690
Show more names
ALBB-018594SBB091190AKOS006329006AB51318CS-10418DB-067509CS-0068046EN300-7353182
Database identifiers
- CAS
25977-19-9- PubChem CID
- 27282007
- DTXSID
DTXSID50650690- EC Number
- 692-200-5
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
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+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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
- hs_code
- 2934999090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H302-H314
- Precautionary statements
- P280-P305+P351+P338-P310
Related reactions
1 records
Compound notes
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