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. : | 80745-07-9 | MDL No. : | MFCD00038846 |
Formula : | C10H13ClO3S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | DWLYVEYCCPEHLX-UHFFFAOYSA-N |
M.W : | 248.73 | Pubchem ID : | 562787 |
Synonyms : |
|
Num. heavy atoms : | 15 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.4 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 60.91 |
TPSA : | 51.75 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.68 cm/s |
Log Po/w (iLOGP) : | 2.51 |
Log Po/w (XLOGP3) : | 3.01 |
Log Po/w (WLOGP) : | 3.63 |
Log Po/w (MLOGP) : | 2.15 |
Log Po/w (SILICOS-IT) : | 2.75 |
Consensus Log Po/w : | 2.81 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.44 |
Solubility : | 0.0898 mg/ml ; 0.000361 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.76 |
Solubility : | 0.0431 mg/ml ; 0.000173 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.23 |
Solubility : | 0.0145 mg/ml ; 0.0000583 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.04 |
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 |
---|---|---|
67.0% | With chlorosulfonic acid In dichloromethane | (2) Synthesis of 4-methoxy-2,3,6-trimethylbenzensulfonyl chloride In 500 ml of methylenchloride was dissolved 4.5 g of 2,3,5-trimethylanisole, and after cooling at -5°~-10° C., a solution (400 ml) of 6.0 ml of chlorosulfonic acid in methylene chloride was added dropwise to the mixture. The reaction mixture was kept at room temperature and then poured into ice-5percent aqueous NaHCO3. The methylene chloride layer was washed with water and dried over anhydrous magnesium sulfate. The solvent was distilled off and the residue was crystallized from n-hexane and filtered. Yield 5.0 g (67.0percent), m.p. 56°-58° C. Elemental analysis for C10 H13 O3 SCl; Calcd.: C, 48.29; H, 5.27; S, 12.89; Cl 14.26; Found: C, 48.42; H, 5.21; S, 12.61; Cl 14.25. |
67.0% | With chlorosulfonic acid In dichloromethane | (2) Synthesis of 4-methoxy-2,3,6-trimethylbenzenesulfonyl chloride In 500 ml of methylene chloride was dissolved 4.5 g of 2,3,5-trimethylanisole and the solution was cooled to -5° C. to -10° C. A solution of 6.0 ml of chlorosulfonic acid in 400 ml of methylene chloride was added dropwise, and then the temperature was allowed to rise to room temperature. The mixture was poured into an ice--5percent aqueous sodium hydrogen carbonate mixture. The methylene chloride layer was washed with water and dried over anhydrous magnesium sulfate. The solvent was then distilled off, and the residue was crystallized from n-hexane. Yield 5.0 g (67.0percent). m.p. 56°-58° C. |
[ 87001-32-9 ]
4-(Benzyloxy)benzenesulfonyl chloride
Similarity: 0.86
[ 1261573-04-9 ]
2-Cyano-5-methoxybenzene-1-sulfonyl chloride
Similarity: 0.85
[ 98-68-0 ]
4-Methoxybenzene-1-sulfonyl chloride
Similarity: 0.79
[ 2905-29-5 ]
2,6-Dimethylbenzene-1-sulfonyl chloride
Similarity: 0.75
[ 23095-31-0 ]
3,4-Dimethoxybenzenesulfonyl chloride
Similarity: 0.75
[ 869885-60-9 ]
Benzofuran-5-sulfonyl chloride
Similarity: 0.86
[ 87001-32-9 ]
4-(Benzyloxy)benzenesulfonyl chloride
Similarity: 0.86
[ 1261573-04-9 ]
2-Cyano-5-methoxybenzene-1-sulfonyl chloride
Similarity: 0.85
[ 115010-11-2 ]
2,3-Dihydro-1-benzofuran-5-sulfonoylchloride
Similarity: 0.84
[ 98-68-0 ]
4-Methoxybenzene-1-sulfonyl chloride
Similarity: 0.79
[ 87001-32-9 ]
4-(Benzyloxy)benzenesulfonyl chloride
Similarity: 0.86
[ 1261573-04-9 ]
2-Cyano-5-methoxybenzene-1-sulfonyl chloride
Similarity: 0.85
[ 98-68-0 ]
4-Methoxybenzene-1-sulfonyl chloride
Similarity: 0.79
[ 23095-31-0 ]
3,4-Dimethoxybenzenesulfonyl chloride
Similarity: 0.75
[ 110661-59-1 ]
(4-Methoxyphenyl)methanesulfonyl chloride
Similarity: 0.74