Basic information
- CAS
1126635-72-0- Standard SMILES
OCc1cn(-c2ccccc2Cl)nn1- InChIKey
IWUAROCRGSEOMO-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3O
- Average molar mass
- 209.63 g/mol
- Monoisotopic mass
- 209.0355896
Names & identifiers
- Preferred name
- (1-(2-chlorophenyl)-1H-1,2,3-triazol-4-yl)methanol
- IUPAC
- [1-(2-chlorophenyl)triazol-4-yl]methanol
- English name
- [1-(2-chlorophenyl)-1H-1,2,3-triazol-4-yl]methanol
- Molecular formula
- C9H8ClN3O
- Molecular weight
- 209.63
Names & synonyms
[1-(2-chlorophenyl)-1H-1,2,3-triazol-4-yl]methanol1126635-72-0(1-(2-chlorophenyl)-1h-1,2,3-triazol-4-yl)methanolRefChem:391629848-112-6[1-(2-Chlorophenyl)triazol-4-yl]methanolMFCD11844967CHEMBL1823282SCHEMBL23451519BDBM600808ALBB-031945BVB63572
Show more names
1H-1,2,3-Triazole-4-methanol, 1-(2-chlorophenyl)-
US11634391, Compound 20AKOS011689301CCG-314439EBC-612544LS-11679CS-0223048EN300-113701H46024
Database identifiers
- CAS
1126635-72-0- PubChem CID
- 53474091
- ChEMBL
CHEMBL1823282- EC Number
- 848-112-6
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 86 · 86-87 °C
- Boiling point
- 413 · 413.0±55.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 12.88 · 12.88±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H302
- 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)
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315-H302
- 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
Suppliers1 total
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
Loading…