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. : | 883195-40-2 | MDL No. : | MFCD16999375 |
Formula : | C6H6ClNO | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JOBPGDXYRPFRIV-UHFFFAOYSA-N |
M.W : | 143.57 | Pubchem ID : | 19986947 |
Synonyms : |
|
Num. heavy atoms : | 9 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 37.88 |
TPSA : | 46.25 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 : | Yes |
Log Kp (skin permeation) : | -5.81 cm/s |
Log Po/w (iLOGP) : | 1.15 |
Log Po/w (XLOGP3) : | 1.92 |
Log Po/w (WLOGP) : | 1.64 |
Log Po/w (MLOGP) : | 1.41 |
Log Po/w (SILICOS-IT) : | 1.31 |
Consensus Log Po/w : | 1.49 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.43 |
Solubility : | 0.53 mg/ml ; 0.00369 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.51 |
Solubility : | 0.439 mg/ml ; 0.00306 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.06 |
Solubility : | 1.26 mg/ml ; 0.00881 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.28 |
Signal Word: | Danger | Class: | 6.1 |
Precautionary Statements: | P261-P264-P301+P310+P330-P305+P351+P338 | UN#: | 2811 |
Hazard Statements: | H300-H315-H319-H335-H411 | 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% | With ammonium chloride; zinc In ethanol; water at 60℃; for 3 h; | 3-Chloro-5-nitrophenol from Example 63A (3.0O g, 17.3 mmol) and zinc powder (5.65 g, 86.4 mmol) in ethanol (8O mL) were heated to 600C, and a solution of ammonium chloride (1.85 g, 34.6 mmol) in water (16 mL) was added dropwise. The reaction was stirred for further 3 h at 600C. It was then filtered through Celite.(R)., and the solvent was removed in vacuo. The residue was dissolved in water and extracted with ethyl acetate. The organic layer was dried over sodium sulfate, and the solvent was removed in vacuo. The residue was triturated with DCM, and the precipitate was collected by suction filtration to yield 1.97 g (77percent) of the title compound as yellowish crystals. <n="97"/>1H-NMR (400 MHz, DMSOd6): δ = 5.25 (br. s, 2H), 5.92 (d, 2H), 6.03 (t, IH), 9.29 (s, IH).LC/MS (method 4): R1 = 1.07 min; MS (ESIpos): m/z = 144 [M+H]+. |
59% | With iron; acetic acid In ethanol at 85℃; for 2 h; | Compound 22-b (2g, 0.01153mol) was dissolved in 35mL of ethanol and 35mLacetic acid was heated to 85 , iron powder was added portionwise (6.4g, 0.1153mol),until no starting material for 2h, filtered, evaporated to dryness, added water, sodiumbicarbonate, adjusted to PH 8-9, and extracted with dichloromethane, dried filtered andevaporated to dryness, chromatography to give compound 22-c (1.15g), yield 59percent. |
[ 52671-64-4 ]
4-Amino-3-chlorophenol hydrochloride
Similarity: 0.93
[ 52671-64-4 ]
4-Amino-3-chlorophenol hydrochloride
Similarity: 0.93
[ 52671-64-4 ]
4-Amino-3-chlorophenol hydrochloride
Similarity: 0.93