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CAS Number: 33471-40-8
4-methylpyridazin-3(2H)-one

Structure

4-methylpyridazin-3(2H)-one
Name: 4-methylpyridazin-3(2H)-one
Synonyms:
General Information
Product Number: 33471408

CAS Registry Number 33471-40-8
Name:
3(2H)?-?Pyridazinone, 4-?methyl-
4-Methyl-3(2H)-pyridazinone
4-Methylpyridazin-3-one

 

Chemical Formula: C5H6N2O
Exact Mass: 110.05
Molecular Weight: 110.11
m/z: 110.05 (100.0%), 111.05 (6.3%)

 

InChI:InChI=1S/C5H6N2O/c1-4-2-3-6-7-5(4)8/h2-3H,1H3,(H,7,8)

InChI Key:HBPUWDXGIIXNTF-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=NNC1=O

 

Thermal Properties Value Condition Note
Melting Point 167 °C   (2)IC
Melting Point 158-159 °C   (3)CAS
Melting Point 158-159 °C Solv: benzene (71-43-2) (4)CAS
Melting Point 157-158 °C   (5)CAS
Melting Point 156 °C   (6)CAS
Melting Point 155 °C Solv: benzene (71-43-2) (7)IC
Melting Point 134 °C   (8)CAS
Melting Point See full text   (1)CAS

Specification

98%

References
  1. (1) Donohoe, Timothy J.; Chemical Communications (Cambridge, United Kingdom) 2009, (21), P3008-3010 CAPLUS
  2. (2) Wermuth, Camille Georges; Journal of Medicinal Chemistry 1987, V30(2), P239-49 CAPLUS
  3. (3) McMillan, Freeman H.; Journal of the American Chemical Society 1956, V78, P407-10 CAPLUS
  4. (4) King, John A.; US 2832780 1958 CAPLUS
  5. (5) Mori, Kazuo; Yakugaku Zasshi 1962, V82, P304-8 CAPLUS
  6. (6) Linholter, Soeren; Acta Chemica Scandinavica 1961, V15, P1660-6 CAPLUS
  7. (7) Farina, Francisco; Anales de Quimica, Serie C: Quimica Organica y Bioquimica 1981, V77(2), P213-17 CAPLUS
  8. (8) Takahayashi, Noboru; Pharmaceutical Bulletin 1957, V5, P229-34 CAPLUS
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