Basic information
- CAS
3757-53-7- Standard SMILES
Cc1ccc(C(=O)O)[nH]1- InChIKey
UFYABCWJPZTWHA-UHFFFAOYSA-N- Molecular formula
- C6H7NO2
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.04767846
Names & identifiers
- Preferred name
- 5-methyl-1H-pyrrole-2-carboxylic acid
- IUPAC
- 5-methyl-1H-pyrrole-2-carboxylic acid
- English name
- 5-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID
- Molecular formula
- C6H7NO2
- Molecular weight
- 125.13
Names & synonyms
5-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID3757-53-7DTXSID20512716RefChem:303993DTXCID30463523837-626-65-methylpyrrole-2-carboxylic acidMFCD030113811H-Pyrrole-2-carboxylic acid, 5-methyl-SCHEMBL1664245ZB08025-METHYL-1H-PYRROLE-2-CARBOXYLICACID
Show more names
AMY4812BCP31754orb2942853SCHEMBL47290882-Pyrrolecarboxylic acid, 5-methyl-TN9810AKOS006243273DS-3460
Database identifiers
- CAS
3757-53-7- PubChem CID
- 12909452
- DTXSID
DTXSID20512716- EC Number
- 837-626-6
- Nikkaji
- J2.440.535D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 137 · 137-138 °C
- Boiling point
- 326.3 · 326.3±22.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.73 · 4.73±0.10(Predicted)
- Appearance
- Light yellow to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses5-Methylpyrrole-2-carboxylic Acid is a useful reactant in preparation and biological evaluation of coumarin-carboxylic acids as inhibitors of gyrase B.
Upstream & downstream products
Upstream raw materials
Suppliers68 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
2 records
Compound notes
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