Product Number: 3398161
CAS Registry Number: 3398-16-1
Name:
1H-Pyrazole, 4-bromo-3,5-dimethyl-
Pyrazole, 4-bromo-3,5-dimethyl- (6CI,7CI,8CI); 3,5-Dimethyl-4-bromopyrazole; 4-Bromo-3,5-dimethyl-1H-pyrazole; 4-Bromo-3,5-dimethylpyrazole; GF 12; NSC 50564
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%)
InChI: InChI=1S/C5H7BrN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKey: RISOHYOEPYWKOB-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C(=NN1)C)Br
| Thermal Properties |
Value |
Condition |
Note |
| Melting Point |
125 °C |
|
(10)IC |
| Melting Point |
123-124 °C |
|
(11)CAS |
| Melting Point |
121-123 °C |
Solv: hexane (110-54-3) |
(12)IC |
| Melting Point |
118 °C |
|
(13)CAS |
| Melting Point |
117-118 °C |
|
(14)CAS |
| Melting Point |
117 °C |
|
(15)CAS |
|
- (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
- (2) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
- (3) Cabildo, Pilar; Organic Magnetic Resonance 1984, V22(9), P603-7 CAPLUS
- (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
- (5) Faure, Robert; Canadian Journal of Chemistry 1988, V66(5), P1141-6 CAPLUS
- (6) Itoh, Kennosuke; Organic Letters 2005, V7(6), P979-981 CAPLUS
- (7) Sibi, Mukund P.; Journal of the American Chemical Society 2007, V129(26), P8064-8065 CAPLUS
- (8) Stefani, Helio A.; Tetrahedron Letters 2005, V46(40), P6833-6837 CAPLUS
- (9) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
- (10) Ketari, R.; Synthesis 1982, (10), P844-6 CAPLUS
- (11) Zhao, Zhi-Gang; Synthetic Communications 2007, V37(1), P137-147 CAPLUS
- (12) Kurihara, Takushi; Chemical & Pharmaceutical Bulletin 1978, V26(4), P1141-6 CAPLUS
- (13) Morgan, G. T.; Journal of the Chemical Society, Transactions 1923, V123, P1308-18 CAPLUS
- (14) Scott, F. L.; Journal of Organic Chemistry 1957, V22, P1688-91 CAPLUS
- (15) Musante, Carlo; Gazzetta Chimica Italiana 1948, V78, P178-91 CAPLUS
- (16) Mukai, Toshio; Bulletin of the Chemical Society of Japan 1964, V37(7), P1018-23 CAPLUS
- (17) Osawa, Akio; Chemical & Pharmaceutical Bulletin 1988, V36(10), P3838-48 CAPLUS
- (18) Heinisch, Gottfried; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1990, (7), P1829-34 CAPLUS
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