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+ |
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. : | 124276-32-0 | MDL No. : | MFCD01314305 |
Formula : | C10H8ClN | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | DHNLVTGCFXWYFU-UHFFFAOYSA-N |
M.W : | 177.63 | Pubchem ID : | 15185297 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.3 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 48.36 |
TPSA : | 23.79 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.57 cm/s |
Log Po/w (iLOGP) : | 2.24 |
Log Po/w (XLOGP3) : | 2.55 |
Log Po/w (WLOGP) : | 2.83 |
Log Po/w (MLOGP) : | 2.57 |
Log Po/w (SILICOS-IT) : | 3.48 |
Consensus Log Po/w : | 2.73 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.85 |
Solubility : | 0.25 mg/ml ; 0.00141 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.7 |
Solubility : | 0.357 mg/ml ; 0.00201 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.92 |
Solubility : | 0.0216 mg/ml ; 0.000122 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.37 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P280-P305+P351+P338+P310 | UN#: | 1759 |
Hazard Statements: | 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 |
---|---|---|
77% | Stage #1: 1-(3-chloro-phenyl)cyclopropanecarbonitrile With methanol; sodium hydroxide; water at 100℃; for 8h; Stage #2: With hydrogenchloride; water | 257.3 Step 3: 1-(3-chlorophenyl)cyclopropanecarboxylic Acid; To a solution of 1-(3-chlorophenyl)cyclopropanecarbonitrile (2.1 g, 11.8 mmol) in methanol (10 ml), 35% NaOH (40 ml) was added and the mixture was heated to 100° C. for 8 hours. After cooling to room temperature, the resulting solution was evaporated under reduced pressure. And the aqueous layer was washed with ethyl ether, acidified with 2N HCl, and extracted organic layer with ethyl acetate. The organic solution was dried over magnesium sulfate, evaporated volatile solvent and dried under vacuum to obtain 1-(3-chlorophenyl)cyclopropanecarboxylic acid (1.8 g, 77% yield) as white solid. |
62% | With water; lithium hydroxide at 100℃; for 15h; | |
With lithium hydroxide In water at 100℃; |
With lithium hydroxide In water; ethylene glycol at 100℃; for 24h; |
[ 124276-57-9 ]
1-(3,4-Dichlorophenyl)cyclopropanecarbonitrile
Similarity: 0.97
[ 64399-27-5 ]
1-(4-Chlorophenyl)cyclopropanecarbonitrile
Similarity: 0.97
[ 32589-55-2 ]
1-(4-Chlorophenyl)-2-phenylcyclopropanecarbonitrile
Similarity: 0.95
[ 2012-81-9 ]
2-(4-Chlorophenyl)-3-methylbutanenitrile
Similarity: 0.94
[ 28049-60-7 ]
1-(3-Chlorophenyl)cyclobutanecarbonitrile
Similarity: 0.92
[ 124276-57-9 ]
1-(3,4-Dichlorophenyl)cyclopropanecarbonitrile
Similarity: 0.97
[ 64399-27-5 ]
1-(4-Chlorophenyl)cyclopropanecarbonitrile
Similarity: 0.97
[ 32589-55-2 ]
1-(4-Chlorophenyl)-2-phenylcyclopropanecarbonitrile
Similarity: 0.95
[ 2012-81-9 ]
2-(4-Chlorophenyl)-3-methylbutanenitrile
Similarity: 0.94
[ 143328-16-9 ]
1-(3-Chlorophenyl)cyclopentanecarbonitrile
Similarity: 0.92
[ 124276-57-9 ]
1-(3,4-Dichlorophenyl)cyclopropanecarbonitrile
Similarity: 0.97
[ 64399-27-5 ]
1-(4-Chlorophenyl)cyclopropanecarbonitrile
Similarity: 0.97
[ 32589-55-2 ]
1-(4-Chlorophenyl)-2-phenylcyclopropanecarbonitrile
Similarity: 0.95
[ 2012-81-9 ]
2-(4-Chlorophenyl)-3-methylbutanenitrile
Similarity: 0.94
[ 143328-16-9 ]
1-(3-Chlorophenyl)cyclopentanecarbonitrile
Similarity: 0.92