Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 60481-38-1 | MDL No. : | MFCD19053254 |
Formula : | C6H7ClF2N2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | SDFAWGYUVRQFQZ-UHFFFAOYSA-N |
M.W : | 180.58 | Pubchem ID : | 22597151 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 40.53 |
TPSA : | 38.05 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) : | -5.87 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 2.16 |
Log Po/w (WLOGP) : | 2.7 |
Log Po/w (MLOGP) : | 2.56 |
Log Po/w (SILICOS-IT) : | 1.2 |
Consensus Log Po/w : | 1.72 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.66 |
Solubility : | 0.397 mg/ml ; 0.0022 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.59 |
Solubility : | 0.462 mg/ml ; 0.00256 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.62 |
Solubility : | 0.428 mg/ml ; 0.00237 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.68 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
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 |
---|---|---|
73% | Stage #1: With hydrogenchloride; sodium nitrite In water at -20℃; for 1 h; Stage #2: With tin(ll) chloride In water at -20 - 0℃; for 2 h; |
Reference Example 184 (2,3-difluorophenyl)hydrazine hydrochloride To a solution of sodium nitrite (27.8 g) in water (100 mL) was added dropwise a solution of 2,3-difluoroaniline (40 g) in concentrated hydrochloric acid (620 mL) at -20° C., and the mixture was stirred at the same temperature for 1 hr. A solution of tin(II) chloride (117 g) in concentrated hydrochloric acid (200 mL) was added dropwise at -20° C., and the mixture was stirred at 0° C. for 2 hr. The resulting solid was collected by filtration, washed with water and hexane, and dried concentrated under reduced pressure to give the title compound as a white solid (32.6 g, yield 73percent). 1H-NMR (DMSO-d6) δ: 6.96-7.19 (3H, m), 8.70 (1H, brs), 10.66 (3H, brs). |
[ 175135-73-6 ]
(2,5-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.93
[ 2924-15-4 ]
(2-Fluorophenyl)hydrazine hydrochloride
Similarity: 0.93
[ 51523-79-6 ]
(2,4-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.91
[ 502496-27-7 ]
(3,5-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.86
[ 175135-73-6 ]
(2,5-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.93
[ 2924-15-4 ]
(2-Fluorophenyl)hydrazine hydrochloride
Similarity: 0.93
[ 51523-79-6 ]
(2,4-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.91
[ 502496-27-7 ]
(3,5-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.86
[ 175135-73-6 ]
(2,5-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.93
[ 2924-15-4 ]
(2-Fluorophenyl)hydrazine hydrochloride
Similarity: 0.93
[ 51523-79-6 ]
(2,4-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.91
[ 502496-27-7 ]
(3,5-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.86
[ 175135-73-6 ]
(2,5-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.93
[ 2924-15-4 ]
(2-Fluorophenyl)hydrazine hydrochloride
Similarity: 0.93
[ 51523-79-6 ]
(2,4-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.91
[ 502496-27-7 ]
(3,5-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.86