Basic information
- CAS
20481-15-6- Standard SMILES
CCOC(=O)c1cnc2c(c(C)nn2C)c1Cl- InChIKey
QJXXEUYFFZWYCX-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O2
- Average molar mass
- 253.68 g/mol
- Monoisotopic mass
- 253.0618043
Names & identifiers
- Preferred name
- ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
- IUPAC
- ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
- English name
- Ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
- Molecular formula
- C11H12ClN3O2
- Molecular weight
- 253.69
Names & synonyms
20481-15-6ethyl 4-chloro-1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine-5-carboxylateDTXSID20371320ethyl 4-chloro-1,3-dimethyl-1H-pyrazolo(3,4-b)pyridine-5-carboxylateRefChem:343878DTXCID40322354673-095-5ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylateMFCD000679541H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-chloro-1,3-dimethyl-, ethyl esterEthyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine 5-carboxylateETHYL4-CHLORO-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
Show more names
Ethyl 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine4-chloro-5-ethyl-1,3-dimethylpyrazolo[3,4-b]pyridineethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-car...ETHYL 4-CHLORO-5,7-DIMETHYLPYRAZOLO(3,4-B)PYRIDINE-3-CARBOXYLATEethyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylatEthyl 4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate ,97%
4-Chloro-1,3-Dimethyl-1H-Pyrazolo[3,4-B]Pyridine-5-Carboxylic Acid Ethyl EsterSCHEMBL583418BUTTPARK 30\08-33QJXXEUYFFZWYCX-UHFFFAOYSA-NSBB101302AKOS025117210PB184411H-Pyrazolo[3,4-b]pyridine-5-carboxylicacid, 4-chloro-1,3-dimethyl-, ethyl ester
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 89 · 89-90°C
- Boiling point
- 356 · 356.0±37.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 1.74 · 1.74±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 29331990 · 29331990
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 29331990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers23 total
郑州汇聚化工有限公司13393710386 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
Related reactions
15 records
Compound notes
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