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. : | 2312-23-4 | MDL No. : | MFCD00012935 |
Formula : | C6H8Cl2N2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | CRRIAWUJYMLJOE-UHFFFAOYSA-N |
M.W : | 179.05 | Pubchem ID : | 75331 |
Synonyms : |
|
Num. heavy atoms : | 10 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 45.62 |
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) : | -5.86 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 2.16 |
Log Po/w (WLOGP) : | 2.24 |
Log Po/w (MLOGP) : | 2.29 |
Log Po/w (SILICOS-IT) : | 1.01 |
Consensus Log Po/w : | 1.54 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.69 |
Solubility : | 0.367 mg/ml ; 0.00205 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.59 |
Solubility : | 0.458 mg/ml ; 0.00256 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.68 |
Solubility : | 0.373 mg/ml ; 0.00208 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.55 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338-P310 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-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 |
---|---|---|
72% | With sodium ethanolate; sodium hydride In ethanol at 0℃; for 1 h; Heating / reflux | Sodium hydride as a 60percent dispersion in mineral oil (0.48 g, 1.2 eq, 12 mmol) was added slowly to ethanol (20 ml) at 0°C. To the solution of sodium ethoxide in ethanol was added 3-chlorophenylhydrazine hydrochloride (1.79 g, 1.0 eq, 10 mmol), addition of ethoxymethylene malonitrile (1.22 g, 1.0 eq, 10 mmol) shortly followed. The reaction mixture was heated to reflux with stirring for 1 hour. The reaction mixture was then allowed to cool to room temperature, once at room temperature a precipitate was observed. Ethanol (20 ml) was added to the slurry and the precipitate was collected by filtration, washed with diethyl ether (2 x 100 ml) and dried in vacuo to give the title compound as a yellow solid (1.56 g, 7.13 mmol, 72percent). LCMS: [M+H]+=219, Rt = 1.17 min, 100percent purity. |
[ 1073-70-7 ]
4-Chlorophenylhydrazine hydrochloride
Similarity: 0.97
[ 19763-90-7 ]
3,4-Dichlorophenylhydrazine hydrochloride
Similarity: 0.95
[ 63352-99-8 ]
3,5-Dichlorophenylhydrazine hydrochloride
Similarity: 0.95
[ 41052-75-9 ]
(2-Chlorophenyl)hydrazine hydrochloride
Similarity: 0.93
[ 21938-47-6 ]
(2,3-Dichlorophenyl)hydrazine hydrochloride
Similarity: 0.86
[ 1073-70-7 ]
4-Chlorophenylhydrazine hydrochloride
Similarity: 0.97
[ 19763-90-7 ]
3,4-Dichlorophenylhydrazine hydrochloride
Similarity: 0.95
[ 63352-99-8 ]
3,5-Dichlorophenylhydrazine hydrochloride
Similarity: 0.95
[ 41052-75-9 ]
(2-Chlorophenyl)hydrazine hydrochloride
Similarity: 0.93
[ 21938-47-6 ]
(2,3-Dichlorophenyl)hydrazine hydrochloride
Similarity: 0.86
[ 1073-70-7 ]
4-Chlorophenylhydrazine hydrochloride
Similarity: 0.97
[ 19763-90-7 ]
3,4-Dichlorophenylhydrazine hydrochloride
Similarity: 0.95
[ 63352-99-8 ]
3,5-Dichlorophenylhydrazine hydrochloride
Similarity: 0.95
[ 41052-75-9 ]
(2-Chlorophenyl)hydrazine hydrochloride
Similarity: 0.93
[ 21938-47-6 ]
(2,3-Dichlorophenyl)hydrazine hydrochloride
Similarity: 0.86
[ 1073-70-7 ]
4-Chlorophenylhydrazine hydrochloride
Similarity: 0.97
[ 19763-90-7 ]
3,4-Dichlorophenylhydrazine hydrochloride
Similarity: 0.95
[ 63352-99-8 ]
3,5-Dichlorophenylhydrazine hydrochloride
Similarity: 0.95
[ 41052-75-9 ]
(2-Chlorophenyl)hydrazine hydrochloride
Similarity: 0.93
[ 21938-47-6 ]
(2,3-Dichlorophenyl)hydrazine hydrochloride
Similarity: 0.86