Basic information
- CAS
175201-94-2- Standard SMILES
Cc1nn(C)c2ncc(C(=O)O)c(Cl)c12- InChIKey
LHEUUYZQYKWDSY-UHFFFAOYSA-N- Molecular formula
- C9H8ClN3O2
- Average molar mass
- 225.63 g/mol
- Monoisotopic mass
- 225.03050418
Names & identifiers
- Preferred name
- 4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
- IUPAC
- 4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
- English name
- 4-CHLORO-1,3-DIMETHYLPYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID
- Molecular formula
- C9H8ClN3O2
- Molecular weight
- 225.63
Names & synonyms
175201-94-24-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acidDTXSID903467424-Chloro-1,3-dimethyl-1H-pyrazolo(3,4-b)pyridine-5-carboxylic acidRefChem:291270DTXCID20297814LHEUUYZQYKWDSY-UHFFFAOYSA-N4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acidMFCD000679594-chloro-1,3-dimethyl-1h-pyrazol[3,4-b]pyridine-5-carboxylic acidOprea1_4243891H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-chloro-1,3-dimethyl-
Show more names
BUTTPARK 30\08-344-Chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-4-chloro-1,3-diMethylpyraazolo[3,4-B]pyridine-5-carboxylic acid4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxyli...4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-carboxylic acid4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid 97%
TD8049SY0973834-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylic acid4-Chloro-1,3-dimethyl-1H-pyrazolo-[3,4-b]pyridine-5-carboxylic acidAMY34958SCHEMBL2639271SBB096881AKOS015908974
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Melting point
- 269 °C · 269 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- crystalline powder
- color
- Off-white
- CAS DataBase Reference
- 175201 · 175201-94-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-36
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 29333990 · 29333990
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29333990
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers58 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific
Related reactions
2 records
Compound notes
Loading…