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. : | 2528-00-9 | MDL No. : | MFCD00173837 |
Formula : | C8H9ClO3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JBACYJRMCXLIQU-UHFFFAOYSA-N |
M.W : | 188.61 | Pubchem ID : | 263166 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.38 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 44.56 |
TPSA : | 39.44 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) : | -6.06 cm/s |
Log Po/w (iLOGP) : | 2.44 |
Log Po/w (XLOGP3) : | 1.96 |
Log Po/w (WLOGP) : | 2.04 |
Log Po/w (MLOGP) : | 1.02 |
Log Po/w (SILICOS-IT) : | 2.41 |
Consensus Log Po/w : | 1.98 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.29 |
Solubility : | 0.971 mg/ml ; 0.00515 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.41 |
Solubility : | 0.728 mg/ml ; 0.00386 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.12 |
Solubility : | 0.145 mg/ml ; 0.000767 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.62 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P501-P260-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405 | UN#: | 3265 |
Hazard Statements: | H302-H314 | Packing Group: | Ⅱ |
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 |
---|---|---|
98% | With hydrogenchloride; zinc(II) chloride In dichloromethane at 35℃; | Example 1; Ethyl 5-chloromethylfuran-2-carboxylate; To a solution of 100 g (0.71 M) of ethyl 2-furoate in 250 ml of 5 dichloromethane are added 30.6 g (1.02 M) of paraformaldehyde and 25.4 g(0.19 M) of zinc chloride. Gaseous hydrogen chloride is passed into the reaction medium. An exothermic reaction is observed, and the temperature reaches350C. The evolution of gas is maintained up to the end of the reaction, which is monitored by thin-layer chromatography (TLC). The product obtained is then o purified by chromatography on silica using dichloromethane as eluent, to give134.6 g of ethyl 5-chloromethylfuran-2-carboxylate in the form of a colourless oil. EPO <DP n="28"/>Yield: 98percent.1H NMR (200 MHz/DMSO-d6) δ (ppm): 1.28 (t, 3H); 4.27 (d, 2H); 4.51 (s, 2H);6.39 (d, 1 H); 7.02 (d, 1 H). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
2.39 g | at 50℃; for 6 h; | The volatiles were evaporated at room temperature and the crude CMFCC 4 (2.90 g) was dissolved in anhydrous ethanol (20 mL). The clear yellow solution was stirred at 50 °C for 6 h. The solvent was evaporated and the residue was chromatographed using CH2Cl/hexane (1:1 to 3:1 gradient) to give ethyl 5-(chloromethyl)furan-2-carboxylate 5 as a colorless oil (2.390 g,82percent). ‘H NMR (300 MHz, CDCI3) ö 7.06 (d, J= 3.5 Hz, IH), 6.44 (d, J= 3.5 Hz, 1H), 4.55 (s,2H), 4.31 (q, J= 7.1 Hz, 2H), 1.32 (t, J= 7.1 Hz, 3H); i3( NMR(75 MHz, CDCI3) ö 158.35,153.96, 145.02, 118.54, 111.37, 61.10, 36.68, 14.26. |
[ 110104-60-4 ]
(E)-Methyl 4-chloro-3-methoxybut-2-enoate
Similarity: 0.69
[ 1165-91-9 ]
Bis(2,4,6-trichlorophenyl) oxalate
Similarity: 0.67
[ 4841-22-9 ]
Methyl 2-(4-chlorophenoxy)acetate
Similarity: 0.67
[ 618-30-4 ]
5-Chlorofuran-2-carboxylic acid
Similarity: 0.64
[ 575-90-6 ]
2-(2,6-Dichlorophenoxy)acetic acid
Similarity: 0.63
[ 53662-83-2 ]
Diethyl furan-2,5-dicarboxylate
Similarity: 0.84
[ 2527-96-0 ]
Methyl 5-methylfuran-2-carboxylate
Similarity: 0.82
[ 4282-32-0 ]
Dimethyl furan-2,5-dicarboxylate
Similarity: 0.82
[ 53662-83-2 ]
Diethyl furan-2,5-dicarboxylate
Similarity: 0.84
[ 2527-96-0 ]
Methyl 5-methylfuran-2-carboxylate
Similarity: 0.82
[ 4282-32-0 ]
Dimethyl furan-2,5-dicarboxylate
Similarity: 0.82