| Identification | More | [Name]
N-Methylpyrrole-2-carboxylic acid | [CAS]
6973-60-0 | [Synonyms]
1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID
1-METHYL-2-PYRROLECARBOXYLIC ACID
1-METHYLPYRROLE-2-CARBOXYLIC ACID
BUTTPARK 52\04-44
N-METHYLPYRROLE-2-CARBOXYLIC ACID
RARECHEM AL BE 0084
TIMTEC-BB SBB004270
1H-Pyrrole-2-carboxylic acid, 1-methyl-
1-Methyl-2-Pyrrolecarboxylic
1-METHYLPYRROL-2-CARBOXYLIC ACID, 97%
1-Methyl-1H-pyrrole-2-carboxylic acid ,97% | [EINECS(EC#)]
230-217-8 | [Molecular Formula]
C6H7NO2 | [MDL Number]
MFCD00003088 | [Molecular Weight]
125.13 | [MOL File]
6973-60-0.mol |
| Chemical Properties | Back Directory | [Appearance]
beige to brown-grey powder | [Melting point ]
136-138 °C(lit.) | [Boiling point ]
232.57°C (rough estimate) | [density ]
1.2500 (rough estimate) | [refractive index ]
1.4890 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Powder | [pka]
4.11±0.10(Predicted) | [color ]
Beige to brown-gray | [Detection Methods]
HPLC | [BRN ]
115703 | [InChI]
1S/C6H7NO2/c1-7-4-2-3-5(7)6(8)9/h2-4H,1H3,(H,8,9) | [InChIKey]
ILAOVOOZLVGAJF-UHFFFAOYSA-N | [SMILES]
Cn1cccc1C(O)=O | [CAS DataBase Reference]
6973-60-0(CAS DataBase Reference) | [NIST Chemistry Reference]
N-methylpyrrole-2-carboxylic acid(6973-60-0) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29339900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
beige to brown-grey powder | [Uses]
1-Methylpyrrole-2-carboxylic acid is used for thermochemical and computational studies of 1-Methyl-2-pyrrolecarboxylic acid. |
|
|