Basic information
- CAS
62230-51-7- Standard SMILES
CCOC(=O)c1nc(-c2ccc(Cl)cc2)n[nH]1- InChIKey
HOHJXKLSCXTVQB-UHFFFAOYSA-N- Molecular formula
- C11H10ClN3O2
- Average molar mass
- 251.67 g/mol
- Monoisotopic mass
- 251.0461543
Names & identifiers
- Preferred name
- ethyl 5-(4-chlorophenyl)-1H-1,2,4-triazole-3-carboxylate
- IUPAC
- ethyl 3-(4-chlorophenyl)-1H-1,2,4-triazole-5-carboxylate
- English name
- 5-(4-Chloro-phenyl)-2H-[1,2,4]triazole-3-carboxylic acid ethyl ester
- Molecular formula
- C11H10ClN3O2
- Molecular weight
- 251.67
Names & synonyms
62230-51-7ethyl 5-(4-chlorophenyl)-1H-1,2,4-triazole-3-carboxylateRefChem:595563834-712-5Ethyl 5-(4-chlorophenyl)-4H-1,2,4-triazole-3-carboxylateethyl 3-(4-chlorophenyl)-1H-1,2,4-triazole-5-carboxylate1H-1,2,4-Triazole-5-carboxylic acid, 3-(4-chlorophenyl)-, ethyl esterMCA23051MFCD19141565AKOS006197721SY200087CS-0239078
Show more names
5-(4-Chloro-phenyl)-2H-[1,2,4]triazole-3-carboxylic acid ethyl ester
EN300-205283Ethyl5-(4-chlorophenyl)-4H-1,2,4-triazole-3-carboxylateethyl 5-(4-chlorophenyl)-1 H -1,2,4-triazole-3-carboxylate
Database identifiers
- CAS
62230-51-7- PubChem CID
- 12374490
- EC Number
- 834-712-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 220 · 220-223 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 428.2 · 428.2±47.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- pka
- 7.06 · 7.06±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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