Basic information
- CAS
6289-04-9- Standard SMILES
Nc1ncnc2c1cnn2-c1ccc(Cl)cc1- InChIKey
NTRNCDBHKIJOLA-UHFFFAOYSA-N- Molecular formula
- C11H8ClN5
- Average molar mass
- 245.67 g/mol
- Monoisotopic mass
- 245.046823
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
- English name
- 1-(4-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- Molecular formula
- C11H8ClN5
- Molecular weight
- 245.67
Names & synonyms
1-(4-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine6289-04-91-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amineMFCD08446363NSC39551-(4-chloro-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamineSCHEMBL13790297DTXSID30277763NSC-3955NSC11622NSC-11622AKOS004121725
Show more names
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(4-chlorophenyl)-
DB-3539851-(4-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, AldrichCPR
Database identifiers
- CAS
6289-04-9- PubChem CID
- 220752
- DTXSID
DTXSID30277763- EC Number
- 109-490-1
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- form
- solid
- InChI
- 1S/C11H8ClN5/c12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-6H,(H2,13,14,15)
- InChIKey
- NTRNCDBHKIJOLA-UHFFFAOYSA-N
- SMILES
- Nc1ncnc2n(ncc12)-c3ccc(Cl)cc3
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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]
P264, P270, P301+P317, P330, 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
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers2 total
Aladdin Scientific[email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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