Basic information
- CAS
5334-59-8- Standard SMILES
Clc1ccc(-n2ncc3c(Cl)ncnc32)cc1- InChIKey
PVDCVYNCXXQMPX-UHFFFAOYSA-N- Molecular formula
- C11H6Cl2N4
- Average molar mass
- 265.09 g/mol
- Monoisotopic mass
- 263.9969516
Names & identifiers
- Preferred name
- 4-Chloro-1-(4-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 4-chloro-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidine
- English name
- 4-Chloro-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine
- Molecular formula
- C11H6Cl2N4
- Molecular weight
- 265.1
Names & synonyms
5334-59-84-chloro-1-(4-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidine4-chloro-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidine4-Chloro-1-(4-chloro-phenyl)-1H-pyrazolo[3,4-d]pyrimidineF1386-00444-chloro-1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidineNSC1442SCHEMBL11476904DTXSID50277280HMS1653G08SMSSF-0040538NSC-1442
Show more names
AKOS BBS-00002135IFLAB-BB F1386-00441-(4-chlorophenyl)-4-chloro-1H-pyrazolo[3,4-d]pyriMidine1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-1-(4-chlorophenyl)-
SBB039516AKOS000267496DA-42172ST50160477EN300-236323AB00674256-01F3037584-chloro-1-(p-chlorophenyl)-1,2,5,7-tetraaza-1H-indene
Database identifiers
- CAS
5334-59-8- PubChem CID
- 219769
- DTXSID
DTXSID50277280- EC Number
- 809-399-3
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 349.3 · 349.3±42.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- form
- solid
- pka
- 1.23 · 1.23±0.30(Predicted)
- InChI
- 1S/C11H6Cl2N4/c12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-6H
- InChIKey
- PVDCVYNCXXQMPX-UHFFFAOYSA-N
- SMILES
- Clc1ccc(cc1)-n2ncc3c(Cl)ncnc23
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- Storage Class
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers16 total
Hangzhou Milon Pharmatech Co.,Ltd.+86-18083715844 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
常州施力医药科技有限公司051988727299; 13961229012 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
郑州如科生物科技有限公司15981811963 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
郑州研德生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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