Basic information
- CAS
56025-87-7- Standard SMILES
Clc1nc(Cl)c2c(ncn2Cc2ccccc2)n1- InChIKey
XRCTVEFABOUQNI-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2N4
- Average molar mass
- 279.12 g/mol
- Monoisotopic mass
- 278.0126017
Names & identifiers
- Preferred name
- 7-benzyl-2,6-dichloro-7H-purine
- IUPAC
- 7-benzyl-2,6-dichloropurine
- English name
- 7-benzyl-2,6-dichloro-7H-purine
- Molecular formula
- C12H8Cl2N4
- Molecular weight
- 279.12
Names & synonyms
7-benzyl-2,6-dichloro-7H-purine56025-87-77-benzyl-2,6-dichloropurineMFCD066193957H-Purine, 2,6-dichloro-7-(phenylmethyl)-2,6-dichloro-7-benzylpurinePurine, 7-benzyl-2,6-dichloro-NSC57005SCHEMBL1831677-benzyl-2,6-dichloro-purineSCHEMBL29601245DTXSID70288631
Show more names
7-benZyl-2,6-dichloro-7h-purine - [B70592]
2,6-Dichlor-7-benzyl-7H-purinXRCTVEFABOUQNI-UHFFFAOYSA-N1-Acetyl-N-ethyl-4-piperidinamineGCA02587HTS30120GS4195NSC 57005NSC-57005
Database identifiers
- CAS
56025-87-7- PubChem CID
- 245263
- DTXSID
DTXSID70288631
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- form
- powder
- Appearance
- White to off-white Solid
- InChI
- 1S/C12H8Cl2N4/c13-10-9-11(17-12(14)16-10)15-7-18(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
- InChIKey
- XRCTVEFABOUQNI-UHFFFAOYSA-N
- SMILES
- ClC1=NC(Cl)=C2N(CC3=CC=CC=C3)C=NC2=N1
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Storage Class
- 11 · 11 - Combustible Solids
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers16 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
天津正泽兴科技有限公司199-2257-5710 13116104906 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
常州安赛普化工有限公司0519-86305871 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
1 records
Compound notes
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