2,6-Dichloro-7,9-dihydro-8H-purin-8-one
Completing data — refresh the page later to see the latest
Basic information
- CAS
98027-86-2- Standard SMILES
O=c1[nH]c2nc(Cl)nc(Cl)c2[nH]1- InChIKey
XQTXZNIILLJNQA-UHFFFAOYSA-N- Molecular formula
- C5H2Cl2N4O
- Average molar mass
- 205 g/mol
- Monoisotopic mass
- 203.9605661
Names & identifiers
- Preferred name
- 2,6-Dichloro-7,9-dihydro-8H-purin-8-one
- IUPAC
- 2,6-dichloro-7,9-dihydropurin-8-one
- English name
- 2,6-Dichloropurin-8-ol
- Molecular formula
- C5H2Cl2N4O
- Molecular weight
- 205
Names & synonyms
98027-86-22,6-dichloro-7H-purin-8-ol2,6-DICHLORO-7,9-DIHYDRO-8H-PURIN-8-ONEDTXSID301279946RefChem:445428DTXCID001710537832-540-52,6-Dichloro-7H-purin-8(9H)-one2,6-dichloro-7,9-dihydropurin-8-oneNSC62665MLS0026934068-Oxy-2.6-dichlorpurin
Show more names
2,6-Dichloropurin-8-olPurin-8-ol,2,6-dichloro-2,6-dichloro-7,9-dihydro-purin-8-one8H-Purin-8-one, 2,6-dichloro-7,9-dihydro-
CHEMBL1885988SCHEMBL13876289HMS3079L16MFCD07783218NSC-62665AKOS026727168AT22534SMR001559361
Database identifiers
- CAS
98027-86-2- PubChem CID
- 5356609
- DTXSID
DTXSID301279946- ChEMBL
CHEMBL1885988- EC Number
- 832-540-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
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
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
- 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
Downstream products
Related reactions
0 records
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Compound notes
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