Basic information
- CAS
52494-53-8- Standard SMILES
Clc1nn2cnnc2c2ccccc12- InChIKey
BSXQUTKJCQAPNE-UHFFFAOYSA-N- Molecular formula
- C9H5ClN4
- Average molar mass
- 204.61 g/mol
- Monoisotopic mass
- 204.0202739
Overview
6-chloro-[1,2,4]triazolo[3,4-a]phthalazine is a triazolophthalazine.
Names & identifiers
- Preferred name
- 6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine
- IUPAC
- 6-chloro-[1,2,4]triazolo[3,4-a]phthalazine
- English name
- 6-CHLORO-[1,2,4]TRIAZOLO[3,4-A]PHTHALAZINE
- Molecular formula
- C9H5ClN4
- Molecular weight
- 204.62
Names & synonyms
6-Chloro-[1,2,4]triazolo[3,4-a]phthalazine52494-53-86-chloro[1,2,4]triazolo[3,4-a]phthalazine5-chloro-7-hydro-1,2,4-triazolo[3,4-a]phthalazineNSC228171MLS000718588SCHEMBL5529353CHEMBL1491980DTXSID80310578BSXQUTKJCQAPNE-UHFFFAOYSA-NCHEBI:107988HMS2689E13
Show more names
AKOS BBS-00002549CHEMBRDG-BB 4902436TIMTEC-BB SBB0110921,2,4-Triazolo[3,4-a]phthalazine,6-chloro-
MFCD00585535SBB011092STK867938AKOS000271365NSC-228171BP-11187SMR000290856DB-029248
Database identifiers
- CAS
52494-53-8- PubChem CID
- 313633
- DTXSID
DTXSID80310578- ChEMBL
CHEMBL1491980- ChEBI
CHEBI:107988
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
Solubility>30.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: 6-chloro-[1,2,4]triazolo[3,4-a]phthalazine is a triazolophthalazine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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