Basic information
- CAS
101870-66-0- Standard SMILES
O=C(O)c1cnnn1-c1ccccc1Cl- InChIKey
IUOGIYMKNMIJDD-UHFFFAOYSA-N- Molecular formula
- C9H6ClN3O2
- Average molar mass
- 223.61 g/mol
- Monoisotopic mass
- 223.0148541
Names & identifiers
- Preferred name
- 1-(2-chlorophenyl)-1H-1,2,3-triazole-5-carboxylic acid
- IUPAC
- 3-(2-chlorophenyl)triazole-4-carboxylic acid
- English name
- 1-(2-Chlorophenyl)-1H-1,2,3-triazole-5-carboxylic Acid
- Molecular formula
- C9H6ClN3O2
- Molecular weight
- 223.62
Names & synonyms
1-(2-chlorophenyl)-1H-1,2,3-triazole-5-carboxylic acid101870-66-0RefChem:421832894-022-53-(2-chlorophenyl)triazole-4-carboxylic acidBEA87066MFCD11559207AKOS002675777SY183421CS-0252108EN300-589991-(2-chlorophenyl)-1H-1,2,3-triazole-5-carboxylicacid
Show more names
1H-1,2,3-Triazole-5-carboxylic acid, 1-(2-chlorophenyl)-
F2121-0130Z445227686
Database identifiers
- CAS
101870-66-0- PubChem CID
- 28811308
- EC Number
- 894-022-5
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Boiling point
- 463.9 · 463.9±51.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 3.08 · 3.08±0.50(Predicted)
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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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