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type | HazMat fee |
Excepted Quantity | Free |
Inaccessible (Haz class 6.1), Domestic | USD 41.00 |
Inaccessible (Haz class 6.1), International | USD 64.00 |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 83.00 |
Accessible (Haz class 3, 4, 5 or 8), International | USD 133.00 |
Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
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* Storage: {[proInfo.prStorage]}
CAS No. : | 1996-51-6 | MDL No. : | MFCD00042152 |
Formula : | C6H5ClFNO2S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 209.63 g/mol | Pubchem ID : | - |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 44.19 |
TPSA : | 68.54 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) : | -6.12 cm/s |
Log Po/w (iLOGP) : | 1.26 |
Log Po/w (XLOGP3) : | 2.06 |
Log Po/w (WLOGP) : | 3.09 |
Log Po/w (MLOGP) : | 1.34 |
Log Po/w (SILICOS-IT) : | 1.08 |
Consensus Log Po/w : | 1.77 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.74 |
Solubility : | 0.38 mg/ml ; 0.00181 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.13 |
Solubility : | 0.156 mg/ml ; 0.000744 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.87 |
Solubility : | 0.286 mg/ml ; 0.00136 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.89 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P260-P264-P270-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P332+P313-P362-P405-P501 | UN#: | 3261 |
Hazard Statements: | H302-H315-H314 | Packing Group: | Ⅱ |
GHS Pictogram: |
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* 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 |
---|---|---|
With triethylamine In dichloromethane | ||
With triethylamine In dichloromethane at 0℃; for 16h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
4-Nitro-3-chlor-benzolsulfonylfluorid, Hydrierung, Raney-Ni., A.; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With pyridine In acetonitrile for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With pyridine In acetonitrile for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With pyridine In acetonitrile for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
71% | With pyridine In acetonitrile for 24h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: 71 percent / pyridine / acetonitrile / 24 h 2: pyridine / CH2Cl2 / 3 h 3: NaOH / methanol; H2O / 3 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: 71 percent / pyridine / acetonitrile / 24 h 2: pyridine / CH2Cl2 / 3 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: pyridine / acetonitrile / 24 h 2: pyridine / CH2Cl2 / 3 h 3: NaOH / methanol; H2O / 3 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 56 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 50 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 22 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: pyridine / acetonitrile / 24 h 2: pyridine / CH2Cl2 / 3 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 63 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 29 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 76 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 75 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 84 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: pyridine / acetonitrile / 24 h 2: pyridine / CH2Cl2 / 3 h 3: NaOH / methanol; H2O / 3 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: pyridine / acetonitrile / 24 h 2: pyridine / CH2Cl2 / 3 h 3: NaOH / methanol; H2O / 3 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 42 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 87 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 29 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 65 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: pyridine / acetonitrile / 24 h 2: pyridine / CH2Cl2 / 3 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: pyridine / acetonitrile / 24 h 2: pyridine / CH2Cl2 / 3 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 51 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: Et3N / CH2Cl2 / 16 h / 0 °C 2: 2 N HCl / methanol 3: 59 percent / p-(dimethylamino)pyridine / acetonitrile / 18 h |
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