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CAS Number: 1967-99-3
3-methyl-4,5,6,7-tetrahydro-1H-indazole

Structure

3-methyl-4,5,6,7-tetrahydro-1H-indazole
Name: 3-methyl-4,5,6,7-tetrahydro-1H-indazole
Synonyms:
General Information
Product Number: 1967993

CAS Registry Number: 1967-99-3

Name:

1H-​Indazole, 4,​5,​6,​7-​tetrahydro-​3-​methyl-
3-​Methyl-​4,​5,​6,​7-​tetrahydroindazole; NSC 220468 

 

Chemical Formula: C8H12N2
Exact Mass: 136.10
Molecular Weight: 136.19
m/z: 136.10 (100.0%), 137.10 (9.4%)
Elemental Analysis: C, 70.55; H, 8.88; N, 20.57

 

InChI: InChI=1S/C8H12N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H2,1H3,(H,9,10)
InChIKey: RXKGSALPZYDBQC-UHFFFAOYSA-N
Canonical SMILES : CC1=C2CCCCC2=NN1

 

Thermal Properties Value Condition Note
Boiling Point 155-156 °C Press: 8 Torr (1)CAS
Boiling Point 145 °C Press: 10 Torr (2)CAS
Boiling Point 145 °C Press: 10 Torr (3)CAS
Boiling Point 125-127 °C Press: 0.2 Torr (4)IC
Melting Point 114-115 °C Solv: hexane (110-54-3) (10)CAS
Melting Point 72 °C   (1)CAS

 

Specification

98%

References
  1. (1) Grandberg, I. I.; Zhurnal Obshchei Khimii 1959, V29, P2537-41 CAPLUS
  2. (2) FR M4348 1966 CAPLUS
  3. (3) Garbrecht, William L.; US 3183234 1965 CAPLUS
  4. (4) Bellesia, Franco; Journal of Chemical Research, Synopses 1981, (4), P114-15 CAPLUS
  5. (5) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  6. (6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  7. (7) Elguero, J.; Journal of Heterocyclic Chemistry 1991, V28(3), P647-51 CAPLUS
  8. (8) Kinjo, Rei; Angewandte Chemie, International Edition 2011, V50(24), P5560-5563, S5560/1-S5560/7 CAPLUS
  9. (9) Nakhai, Azadeh; Tetrahedron 2009, V65(11), P2298-2306 CAPLUS
  10. (10) Piozzi, Franco; Gazzetta Chimica Italiana 1965, V95(7), P814-24 CAPLUS
  11. (11) Oehler, Elisabeth; Chemische Berichte 1980, V113(9), P2852-67 CAPLUS
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