Basic information
- CAS
54196-62-2- Standard SMILES
Cc1nnc(CO)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl- InChIKey
AXAAMTSBUQOVSO-UHFFFAOYSA-N- Molecular formula
- C17H13Cl2N3O2
- Average molar mass
- 362.2 g/mol
- Monoisotopic mass
- 361.03848202
Names & identifiers
- Preferred name
- 2',5-Dichloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)benzophenone
- IUPAC
- [5-chloro-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]-(2-chlorophenyl)methanone
- English name
- 2',5-dichloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)benzophenone
- Molecular formula
- C17H13Cl2N3O2
- Molecular weight
- 362.21002
Names & synonyms
54196-62-2EINECS 259-023-12',5-Dichloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)benzophenoneDTXSID00202547RefChem:439480DTXCID30125038259-023-1{5-chloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]phenyl}(2-chlorophenyl)methanoneTriazolam Impurity 4SCHEMBL11819543DB-302840NS00032997
Show more names
TriazolamImpurity42'',5-DICHLOOR-2-[3-(HYDROXYMETHYL)-5-METHYL-4H-1,2,4-TRIAZOOL-4-YL]BENZOFENON[5-Chloro-2-(3-hydroxymethyl-5-methyl-4H-1,2,4-triazol-4-yl)phenyl](2-chlorophenyl)methanone
2',5-dichloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl] benzophenone2',5-dichloro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzophenone
Database identifiers
- CAS
54196-62-2
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- REACH Registrations
- Active
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 InformationStatus: Active Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26393
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
济南百隆化学有限公司[email protected] · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
6 records
Compound notes
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