Completing data — usually done within a minute
Basic information
- Standard SMILES
Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)O- InChIKey
JNOADCITUCNMIN-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2O2
- Average molar mass
- 236.658 g/mol
- Monoisotopic mass
- 236.03525521
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
- IUPAC
- 3-(4-Chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
- English name
- 3-(4-Chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
- Molecular formula
- C11H9ClN2O2
- Molecular weight
- 236.65
Names & synonyms
3-(4-Chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid5-(4-Chloro-phenyl)-2-methyl-2H-pyrazole-3-carboxylic acid1H-Pyrazole-5-carboxylic acid, 3-(4-chlorophenyl)-1-methyl-3-(4-chlorophenyl)-1-methyl-1H-pyridineazole-5-carboxylic acid
Database identifiers
- CAS
1015868-48-0- PubChem CID
- 13370516
- DTXSID
DTXSID40538534- EC Number
- 829-282-0
Properties
Physicochemical properties
- Boiling point
- 443.7 · 443.7±35.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 2.87 · 2.87±0.25(Predicted)
- Appearance
- White to off-white Solid
- InChI
- 1S/C11H9ClN2O2/c1-14-10(11(15)16)6-9(13-14)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16)
- InChIKey
- JNOADCITUCNMIN-UHFFFAOYSA-N
- SMILES
- Cn1nc(cc1C(O)=O)-c2ccc(Cl)cc2
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
Safety data
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers20 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
兰州金诚楷摩医药科技有限公司13361936468 · [email protected]
Related reactions
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