There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.
Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 100+ |
Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
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CAS No. : | 5281-18-5 | MDL No. : | MFCD00156178 |
Formula : | C7H8N2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 120.15 | Pubchem ID : | - |
Synonyms : |
|
Num. heavy atoms : | 9 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 37.8 |
TPSA : | 38.38 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.05 cm/s |
Log Po/w (iLOGP) : | 1.18 |
Log Po/w (XLOGP3) : | 1.39 |
Log Po/w (WLOGP) : | 0.98 |
Log Po/w (MLOGP) : | 1.33 |
Log Po/w (SILICOS-IT) : | 1.46 |
Consensus Log Po/w : | 1.27 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.89 |
Solubility : | 1.56 mg/ml ; 0.0129 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.8 |
Solubility : | 1.91 mg/ml ; 0.0159 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -2.08 |
Solubility : | 0.995 mg/ml ; 0.00828 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.18 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501 | UN#: | 3267 |
Hazard Statements: | H302-H318 | Packing Group: | Ⅲ |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
55% | With hydrazine hydrate In neat (no solvent) for 6 h; Reflux | General procedure: Amixture ofDHPMs a–h(0.01mol) and excess hydrazine hydrate (5 mL) was heatedunder reflux for 6 h. The reaction mixture was allowed tocool and poured on crushed ice.The obtained solid producta–d was filtered, crystallized from ethanol, and finallydried.The evaporation of the filtrate gave solid residue whichupon fractional crystallization from water gave the pyrazole and urea (a)/thiourea (b), respectively. 2.4.1. 3-Methyl-1H-pyrazol-5-ol (13). Yield: 42–55percent (for a–h); m.p. 221–223 °C (Lit. [49] m.p. 220–222 °C); 1H-NMR(DMSO-6) δ (ppm): 2.47 (s, 3H, -CH3), 6.83 (s, 1H, Ar-H),10.07 (s, 1H, OH), 12.10 (s, 1H,NH). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
55% | With hydrazine hydrate In neat (no solvent) for 6 h; Reflux | General procedure: Amixture ofDHPMs a–h(0.01mol) and excess hydrazine hydrate (5 mL) was heatedunder reflux for 6 h. The reaction mixture was allowed tocool and poured on crushed ice.The obtained solid producta–d was filtered, crystallized from ethanol, and finallydried.The evaporation of the filtrate gave solid residue whichupon fractional crystallization from water gave the pyrazole and urea (a)/thiourea (b), respectively. 2.4.1. 3-Methyl-1H-pyrazol-5-ol (13). Yield: 42–55percent (for a–h); m.p. 221–223 °C (Lit. [49] m.p. 220–222 °C); 1H-NMR(DMSO-6) δ (ppm): 2.47 (s, 3H, -CH3), 6.83 (s, 1H, Ar-H),10.07 (s, 1H, OH), 12.10 (s, 1H,NH). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
100% | With hydrazine hydrate In ethanol at 20℃; for 100 h; Inert atmosphere | To a solution of hydrazine hydrate (2.5 mL, 30 mmol) in EtOH (10 mL) benzaldehyde (1.04 mL, 10 mmol) was added dropwise under nitrogen over 10 min. The resulting solution was stirred at RT for 1.5 h. After this time, water was added and ethanol was evaporated under vacuum. The aqueous phase was extracted with DCM (x 4). Combined organics were dried and concentrated to obtain (phenylmethylidene)hydrazine (p2, 1.2 g, y= quant.) as yellow oil MS (/T7/z): 121.1 [MH]+ |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
55% | With hydrazine hydrate In neat (no solvent) for 6 h; Reflux | General procedure: Amixture ofDHPMs a–h(0.01mol) and excess hydrazine hydrate (5 mL) was heatedunder reflux for 6 h. The reaction mixture was allowed tocool and poured on crushed ice.The obtained solid producta–d was filtered, crystallized from ethanol, and finallydried.The evaporation of the filtrate gave solid residue whichupon fractional crystallization from water gave the pyrazole and urea (a)/thiourea (b), respectively. 2.4.1. 3-Methyl-1H-pyrazol-5-ol (13). Yield: 42–55percent (for a–h); m.p. 221–223 °C (Lit. [49] m.p. 220–222 °C); 1H-NMR(DMSO-6) δ (ppm): 2.47 (s, 3H, -CH3), 6.83 (s, 1H, Ar-H),10.07 (s, 1H, OH), 12.10 (s, 1H,NH). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
55% | With hydrazine hydrate In neat (no solvent) for 6 h; Reflux | General procedure: Amixture ofDHPMs a–h(0.01mol) and excess hydrazine hydrate (5 mL) was heatedunder reflux for 6 h. The reaction mixture was allowed tocool and poured on crushed ice.The obtained solid producta–d was filtered, crystallized from ethanol, and finallydried.The evaporation of the filtrate gave solid residue whichupon fractional crystallization from water gave the pyrazole and urea (a)/thiourea (b), respectively. 2.4.1. 3-Methyl-1H-pyrazol-5-ol (13). Yield: 42–55percent (for a–h); m.p. 221–223 °C (Lit. [49] m.p. 220–222 °C); 1H-NMR(DMSO-6) δ (ppm): 2.47 (s, 3H, -CH3), 6.83 (s, 1H, Ar-H),10.07 (s, 1H, OH), 12.10 (s, 1H,NH). |
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