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. : | 26638-43-7 | MDL No. : | MFCD00009797 |
Formula : | C8H7ClO4S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | HUNUAFNLLYVTQD-UHFFFAOYSA-N |
M.W : | 234.66 | Pubchem ID : | 117830 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.12 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 50.8 |
TPSA : | 68.82 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) : | -6.69 cm/s |
Log Po/w (iLOGP) : | 1.93 |
Log Po/w (XLOGP3) : | 1.47 |
Log Po/w (WLOGP) : | 2.48 |
Log Po/w (MLOGP) : | 1.43 |
Log Po/w (SILICOS-IT) : | 1.22 |
Consensus Log Po/w : | 1.71 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.34 |
Solubility : | 1.07 mg/ml ; 0.00457 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.52 |
Solubility : | 0.706 mg/ml ; 0.00301 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.02 |
Solubility : | 0.223 mg/ml ; 0.000951 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.03 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310 | UN#: | 3261 |
Hazard Statements: | H314 | 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 |
---|---|---|
94% | Stage #1: With hydrogenchloride; sodium nitrite In water at 80℃; for 0.0277778 h; Large scale Stage #2: With sodium hydrogensulfite In dichloromethane; water at 100℃; for 0.025 h; Large scale |
The first tubular reactor was 20 m long and 15 mm in diameter; the second tubular reactor length was40m, diameter of 10mm, copper ball packing diameter of 3mm. 1587 g of methyl anthranilate,(Containing 1916 g of hydrogen chloride) of 35 wtpercent hydrochloric acid, 6720 g of 30 wtpercent sodium nitrite solution(Containing 2016 g of sodium nitrite), 6825 g of saturated sodium bisulfite solution (containing sulfurous acidSodium hydride 2730 g), and the mass of methylene chloride was 7936 g.The first tubular reactor was weighed using a heat exchanger maintained at a temperature of 80 ° C20percent by weight of hydrochloric acid, and 40percent by weight of sodium nitrite solution, respectively,A storage tank 1, a second storage tank and a third storage tank, each of the three materials is passed through a first metering pump,The second metering pump and the third metering pump are simultaneously conveyed to the first mixer, and the flow rate is controlled so that the three metering pumps1: 5: 3 flow rate, the three strands of material mixed by the first mixer into the first tube reactionAnd the diazotization reaction was carried out at 80 ° C for a residence time of 100 s, and stored in a fourth storage tankSaturated sodium bisulfite solution and dichloromethane stored in the fifth tank, respectivelyThe fourth metering pump and the fifth metering pump and the diazotization reaction flowing out of the first tubular reactorLiquid and simultaneously fed to a second mixer to control the flow rate so that methyl anthranilate and saturatedThe molar flow ratio of sodium bisulfite was 1: 2.5, methyl anthranilate and methylene chlorideMass flow ratio of 1: 5; mixed by the second mixer after the second mixed solution into the pre-securityTemperature of 100 ° C, and a residence time in the tube of 90 s;Two minutes after the exit of the two-tube reactor, the reaction solution was collected and collected for 2 minutesAnd the amount of the o-aminobenzoic acid methyl ester was 624 g), and the reaction solution was allowed to stand in a receiving tankThe layers were separated, the organic layer was removed, the methylene chloride was removed and dried to give 2- (chlorosulfonyl)Yl) benzoic acid methyl ester (910 g) in a yield of 94percent |
[ 126535-26-0 ]
Methyl 2-(chlorosulfonyl)-3-methylbenzoate
Similarity: 0.99
[ 69812-51-7 ]
Methyl 4-chlorosulfonylbenzoate
Similarity: 0.91
[ 2548-29-0 ]
3-Chlorosulfonyl-4-methylbenzoic acid
Similarity: 0.90
[ 63555-50-0 ]
Methyl 3-(chlorosulfonyl)benzoate
Similarity: 0.90
[ 10130-89-9 ]
4-(Chlorosulfonyl)benzoic acid
Similarity: 0.85
[ 126535-26-0 ]
Methyl 2-(chlorosulfonyl)-3-methylbenzoate
Similarity: 0.99
[ 2548-29-0 ]
3-Chlorosulfonyl-4-methylbenzoic acid
Similarity: 0.90
[ 63555-50-0 ]
Methyl 3-(chlorosulfonyl)benzoate
Similarity: 0.90
[ 10130-89-9 ]
4-(Chlorosulfonyl)benzoic acid
Similarity: 0.85
[ 4025-64-3 ]
3-(Chlorosulfonyl)benzoic acid
Similarity: 0.84
[ 126535-26-0 ]
Methyl 2-(chlorosulfonyl)-3-methylbenzoate
Similarity: 0.99
[ 69812-51-7 ]
Methyl 4-chlorosulfonylbenzoate
Similarity: 0.91
[ 2548-29-0 ]
3-Chlorosulfonyl-4-methylbenzoic acid
Similarity: 0.90
[ 63555-50-0 ]
Methyl 3-(chlorosulfonyl)benzoate
Similarity: 0.90
[ 10130-89-9 ]
4-(Chlorosulfonyl)benzoic acid
Similarity: 0.85
[ 126535-26-0 ]
Methyl 2-(chlorosulfonyl)-3-methylbenzoate
Similarity: 0.99
[ 69812-51-7 ]
Methyl 4-chlorosulfonylbenzoate
Similarity: 0.91
[ 63555-50-0 ]
Methyl 3-(chlorosulfonyl)benzoate
Similarity: 0.90
[ 85392-01-4 ]
Methyl 4-chloro-2-(chlorosulfonyl)benzoate
Similarity: 0.80