Basic information
- CAS
4343-73-1- Standard SMILES
CCOC(=O)c1n[nH]nc1C- InChIKey
AVSQIANZTCVZNC-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947654
Names & identifiers
- Preferred name
- Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate
- IUPAC
- ethyl 5-methyl-2H-triazole-4-carboxylate
- English name
- ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylate
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
4343-73-1Ethyl 5-methyl-1H-1,2,3-triazole-4-carboxylateEthyl 4-methyl-1H-1,2,3-triazole-5-carboxylateEINECS 224-401-71H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-, ethyl esterDTXSID10195850RefChem:595813DTXCID50118341224-401-7CHEMBL2071024ethyl 5-methyl-2H-1,2,3-triazole-4-carboxylateMFCD00955874
Show more names
Ethyl-5-methyl-1H-1,2,3-triazol-4-carboxylatEthyl 4-methyl-2H-1,2,3-triazole-5-carboxylate2,3-triazole-4-carboxylic acid, 5-methyl-1h- ethylester2,3-triazole-4-carboxylic acid, 5-methyl-1h- ethyl ester4-Methyl-1H-1,2,3-triazole-5-carboxylic acid ethyl ester5-Methyl-3H-[1,2,3]triazole-4-carboxylic acid ethyl ester
ethyl 5-methyl-2H-triazole-4-carboxylate507473-06-5JT2RK3ZS7QSCHEMBL841773SCHEMBL9272935SCHEMBL230257205-Methyl-1H-1,2,3-triazole-4-carboxylic acid ethyl esterEAA34373
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 287.1 · 287.1±20.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- pka
- 7.39 · 7.39±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-, ethyl ester
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers13 total
韶远科技(上海)有限公司4000665055 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
4 records
Compound notes
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