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About This Item
Empirical Formula (Hill Notation):
C6H7NO
CAS Number:
Molecular Weight:
109.13
Beilstein:
107811
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
98%
bp
87-90 °C/22 mmHg (lit.)
density
1.016 g/mL at 25 °C (lit.)
storage temp.
2-8°C
SMILES string
[H]C(=O)c1cccn1C
InChI
1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3
InChI key
OUKQTRFCDKSEPL-UHFFFAOYSA-N
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Application
N-Methyl-2-pyrrolecarboxaldehyde was used to prepare 3-(1-methyl-1H-pyrrol-2-yl)propanoic acid.
WGK
WGK 3
Flash Point(F)
161.6 °F
Flash Point(C)
72 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Yu Luo et al.
Bioorganic & medicinal chemistry, 18(14), 5048-5055 (2010-07-20)
A series of novel benzimidazole derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity and cytotoxicity in the HepG2.2.15 cell line. The preliminary SAR was discussed. Compound 12a, with IC50<0.41 microM and SI>81.2, was the most promising
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