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 |
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 |
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CAS No. : | 15442-91-8 | MDL No. : | MFCD00009664 |
Formula : | C10H10Br4 | Boiling Point : | 408.7°C at 760 mmHg |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 449.80 g/mol | Pubchem ID : | 284971 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.4 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 0.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 77.79 |
TPSA : | 0.0 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.09 cm/s |
Log Po/w (iLOGP) : | 3.13 |
Log Po/w (XLOGP3) : | 4.16 |
Log Po/w (WLOGP) : | 4.66 |
Log Po/w (MLOGP) : | 5.18 |
Log Po/w (SILICOS-IT) : | 5.9 |
Consensus Log Po/w : | 4.61 |
Lipinski : | 1.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -5.3 |
Solubility : | 0.00224 mg/ml ; 0.00000498 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -3.87 |
Solubility : | 0.061 mg/ml ; 0.000136 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -7.3 |
Solubility : | 0.0000225 mg/ml ; 0.0000000501 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 2.06 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P260-P264-P280-P305+P351+P338-P405-P501 | UN#: | 3261 |
Hazard Statements: | 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 |
---|---|---|
15% | With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane at 77℃; for 0.833333 h; | 1,2,4,5-tetrakis(bromomethyl)benzene (1c) was obtained by the reaction of 1,2,4,5-tetramethylbenzene(2.8 g; 20 mmol) with NBS (14.4 g; 80 mmol) and benzoyl peroxide (1 g; 5.9 mmol) in tetrachloromethane(50 mL). Reagents were heated at 77 °C for 50 min. The precipitate was filtered off under reducedpressure and washed with hot tetrachloromethane. The filtrate was concentrated to small volume andcooled to 4 °C. Crude product was filtrated and purified by crystallization from methanol. Rt< 1 h,white solid (15percent), m.p. 159–160 °C. 1H-NMR (CDCl3) δ: 7.37 ppm (2H, a), 4.60 ppm (8H, b). 13C-NMR(CDCl3) : 137.6 ppm (a), 133.6 ppm (h), 28.7 ppm (b). FT-IR (KBr) νmax: 3026, 2980, 2933, 1504, 1456,1210, 911, 797, 678, 598. |
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