ChemicalBook--->CAS DataBase List--->6973-60-0

6973-60-0

6973-60-0 Structure

6973-60-0 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

n-Butyllithium-->Carbon dioxide-->1-Methylpyrrolidine
[Preparation Products]

2-Isocyanato-1-methyl-1H-pyrrole-->Methyl 1-methylpyrrole-2-carboxylate-->1-Methyl-1H-pyrrole-2-carbohydrazide-->ethyl 1-methylpyrrole-2-carboxylate
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

N-Methylpyrrole-2-carboxylic acid(6973-60-0)MS
N-Methylpyrrole-2-carboxylic acid(6973-60-0)1HNMR
N-Methylpyrrole-2-carboxylic acid(6973-60-0)13CNMR
N-Methylpyrrole-2-carboxylic acid(6973-60-0)IR1
N-Methylpyrrole-2-carboxylic acid(6973-60-0)IR2
N-Methylpyrrole-2-carboxylic acid(6973-60-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-Methylpyrrole-2-carboxylic acid, 97%(6973-60-0)
[Alfa Aesar]

1-Methylpyrrole-2-carboxylic acid, 98%(6973-60-0)
[Sigma Aldrich]

6973-60-0(sigmaaldrich)
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