Basic information
- CAS
1136-76-1- Standard SMILES
Cc1cc(C(=O)O)n(-c2ccccc2)n1- InChIKey
CLWQEWCCJFUHNV-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422756
Overview
See also: 5-Methyl-2-phenyl-pyrazole-3-carboxylic acid (annotation moved to).
Names & identifiers
- Preferred name
- 3-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid
- IUPAC
- 5-methyl-2-phenylpyrazole-3-carboxylic acid
- English name
- 5-Methyl-2-phenyl-2H-pyrazole-3-carboxylic acid
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.21
Names & synonyms
1136-76-13-methyl-1-phenyl-1H-pyrazole-5-carboxylic acid3-Methyl-1-phenylpyrazole-5-carboxylic acid5-methyl-2-phenylpyrazole-3-carboxylic acid1H-Pyrazole-5-carboxylic acid, 3-methyl-1-phenyl-MFCD016935095-Methyl-2-phenyl-2H-pyrazole-3-carboxylic acid3-methyl-1-phenyl-1H-5-pyrazolecarboxylic acidPyrazole-5-carboxylic acid, 3-methyl-1-phenyl-MLS004820231SCHEMBL1259093NIOSH/UQ6419000
Show more names
3-methyl-1-phenyl-1H-pyridineazole-5-carboxylic acid
DTXSID90377778CLWQEWCCJFUHNV-UHFFFAOYSA-NEBC-70086SBB092930AKOS002666634FS-1765SMR003523801DB-084417
Database identifiers
- CAS
1136-76-1- PubChem CID
- 2769592
- DTXSID
DTXSID90377778
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 101 · 101-103°C
- Boiling point
- 385.4 · 385.4±22.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.94 · 2.94±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers21 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
17 records
Compound notes
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