Basic information
- CAS
64276-66-0- Standard SMILES
Cc1c[nH]cc1C(=O)O- InChIKey
FXPOCCDGHHTZAO-UHFFFAOYSA-N- Molecular formula
- C6H7NO2
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.04767846
Names & identifiers
- Preferred name
- 4-Methyl-1H-pyrrole-3-carboxylic acid
- IUPAC
- 4-methyl-1H-pyrrole-3-carboxylic acid
- English name
- 1H-Pyrrole-3-carboxylicacid,4-methyl-(9CI)
- Molecular formula
- C6H7NO2
- Molecular weight
- 125.13
Names & synonyms
4-methyl-1h-pyrrole-3-carboxylic acid64276-66-0DTXSID60298067RefChem:99714DTXCID90249204882-218-3MFCD000304184-Methyl-3-pyrrolecarboxylic AcidNSC 120446CHEMBL46494351H-Pyrrole-3-carboxylicacid,4-methyl-(9CI)1H-Pyrrole-3-carboxylic acid, 4-methyl-
Show more names
4-methyl-1H-pyrrole-3-carboxylic acid - [M87149]
3-Methylpyrrole-4-carboxylic Acid3-Methyl-4-pyrrolylcarboxylic AcidNSC120446SCHEMBL151109SCHEMBL47293044-methylpyrrole-3-carboxylic acidFXPOCCDGHHTZAO-UHFFFAOYSA-N4-Methyl-pyrrole-3-carboxylic acid
Database identifiers
- CAS
64276-66-0- PubChem CID
- 274408
- DTXSID
DTXSID60298067- ChEMBL
CHEMBL4649435- EC Number
- 882-218-3
- Nikkaji
- J643.228J
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usesβ,β-disubstituted pyrrole used as a fluorescent biosensor as well as building blocks in the preparation of pharmecuetical compounds.
Uses4-Methyl-1H-pyrrole-3-carboxylic acid can be used as a fluorescent biosensor as well as building blocks in the preparation of pharmecuetical compounds.
Upstream & downstream products
Upstream raw materials
Suppliers17 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
Related reactions
5 records
Compound notes
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