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CAS Number: 5775-82-6
4-bromo-1,3-dimethyl-1H-pyrazole

Structure

4-bromo-1,3-dimethyl-1H-pyrazole
Name: 4-bromo-1,3-dimethyl-1H-pyrazole
Synonyms:
General Information
Product Number: 5775826
CAS Registry Number:
5775-82-6
Name:
1H-​Pyrazole, 4-​bromo-​1,​3-​dimethyl-
Pyrazole, 4-​bromo-​1,​3-​dimethyl- (7CI,​8CI); 4-​Bromo-​1,​3-​dimethyl-​1H-​pyrazole; 4-​Bromo-​1,​3-​dimethylpyrazole 
 
Chemical Formula: C5H7BrN2
Exact Mass: 173.98
Molecular Weight: 175.03
m/z: 173.98 (100.0%), 175.98 (97.3%), 174.98 (6.1%), 176.98 (5.3%)
Elemental Analysis: C, 34.31; H, 4.03; Br, 45.65; N, 16.01
 
InChI: InChI=1S/C5H7BrN2/c1-4-5(6)3-8(2)7-4/h3H,1-2H3
InChIKey: UESOBPUTZLYSGI-UHFFFAOYSA-N
Canonical SMILES : CC1=NN(C=C1Br)C
 
Thermal Properties       Value                        Condition            Note
Boiling Point                 100 °C                   Press: 30 Torr         (1)CAS
Boiling Point                   45 °C                       Press: 1 Torr        (3)CAS

Specification

98%

References
  1. (1) Elguero, Jose; Bulletin de la Societe Chimique de France 1966, (1), P293-302 CAPLUS
  2. (2) Andreeva, M. A.; Zhurnal Obshchei Khimii 1980, V50(9), P2116-19 CAPLUS
  3. (3) Attaryan, O. S.; Russian Journal of General Chemistry 2007, V77(2), P307-308 CAPLUS
  4. (4) Attaryan, O. S.; Russian Journal of General Chemistry 2007, V77(10), P1821-1822 CAPLUS
  5. (5) Attaryan, O. S.; Russian Journal of Organic Chemistry 2007, V43(11), P1740-1741 CAPLUS
  6. (6) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  7. (7) Cabildo, Pilar; Organic Magnetic Resonance 1984, V22(9), P603-7 CAPLUS
  8. (8) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
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