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. : | 184163-56-2 | MDL No. : | MFCD04972777 |
Formula : | C8H6F3N3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | AGGXBOOGNPKSRU-UHFFFAOYSA-N |
M.W : | 201.15 | Pubchem ID : | 40427114 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.12 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 43.37 |
TPSA : | 61.84 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) : | -6.28 cm/s |
Log Po/w (iLOGP) : | 1.39 |
Log Po/w (XLOGP3) : | 1.76 |
Log Po/w (WLOGP) : | 2.82 |
Log Po/w (MLOGP) : | 1.79 |
Log Po/w (SILICOS-IT) : | 1.35 |
Consensus Log Po/w : | 1.82 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.38 |
Solubility : | 0.836 mg/ml ; 0.00416 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.68 |
Solubility : | 0.424 mg/ml ; 0.00211 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.07 |
Solubility : | 0.172 mg/ml ; 0.000855 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.02 |
Signal Word: | Danger | Class: | 6.1 |
Precautionary Statements: | P280-P301+P310+P330-P302+P352-P305+P351+P338+P310 | UN#: | 2811 |
Hazard Statements: | H301-H315-H318-H335 | 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 |
---|---|---|
58% | 9.b b. b. 3-methyl-1-(2-trifluoromethyl-4-cyano-phenyl)-1,4,5,6-tetrahydro-cyclopentapyrazole Prepared analogously to Example 5b from 2-trifluoromethyl-4-cyano-phenylhydrazine and 2-acetyl-cyclopentanone. Yield: 58% of theory, Rf value: 0.15 (silica gel; dichloromethane) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
89% | With hydrazine hydrate; | a. (2-trifluoromethyl-4-cyano-phenyl)-hydrazine Prepared analogously to Example 5a from <strong>[67515-59-7]4-fluoro-3-trifluoromethyl-benzonitrile</strong> and hydrazine hydrate. Yield: 89% of theory, Rf value: 0.56 (silica gel; petroleum ether/ethyl acetate=4:1) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Stage #1: 4-cyano-2-trifluoromethylaniline With hydrogenchloride; sodium nitrite In water at 5℃; Stage #2: With hydrogenchloride; tin(ll) chloride In water at 5℃; for 0.5h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
1.31 g | With hydrogenchloride In 1,4-dioxane; diethyl ether |
[ 327-74-2 ]
2-Amino-5-cyanobenzotrifluoride
Similarity: 0.88
[ 3107-34-4 ]
2-(Trifluoromethyl)phenylhydrazine hydrochloride
Similarity: 0.86
[ 6526-08-5 ]
2-Amino-5-(trifluoromethyl)benzonitrile
Similarity: 0.84
[ 1483-54-1 ]
2-Amino-4-(trifluoromethyl)benzonitrile
Similarity: 0.83
[ 49674-28-4 ]
3-Amino-5-(trifluoromethyl)benzonitrile
Similarity: 0.79
[ 327-74-2 ]
2-Amino-5-cyanobenzotrifluoride
Similarity: 0.88
[ 3107-34-4 ]
2-(Trifluoromethyl)phenylhydrazine hydrochloride
Similarity: 0.86
[ 6526-08-5 ]
2-Amino-5-(trifluoromethyl)benzonitrile
Similarity: 0.84
[ 1483-54-1 ]
2-Amino-4-(trifluoromethyl)benzonitrile
Similarity: 0.83
[ 49674-28-4 ]
3-Amino-5-(trifluoromethyl)benzonitrile
Similarity: 0.79
[ 327-74-2 ]
2-Amino-5-cyanobenzotrifluoride
Similarity: 0.88
[ 3107-34-4 ]
2-(Trifluoromethyl)phenylhydrazine hydrochloride
Similarity: 0.86
[ 6526-08-5 ]
2-Amino-5-(trifluoromethyl)benzonitrile
Similarity: 0.84
[ 1483-54-1 ]
2-Amino-4-(trifluoromethyl)benzonitrile
Similarity: 0.83
[ 49674-28-4 ]
3-Amino-5-(trifluoromethyl)benzonitrile
Similarity: 0.79
[ 3107-34-4 ]
2-(Trifluoromethyl)phenylhydrazine hydrochloride
Similarity: 0.86
[ 2923-56-0 ]
(4-(Trifluoromethyl)phenyl)hydrazine hydrochloride
Similarity: 0.77
[ 3107-33-3 ]
(3-(Trifluoromethyl)phenyl)hydrazine hydrochloride
Similarity: 0.77
[ 502496-23-3 ]
3,5-Bis(trifluoromethyl)phenylhydrazine hydrochloride
Similarity: 0.76
[ 502496-21-1 ]
(4-Fluoro-2-(trifluoromethyl)phenyl)hydrazine hydrochloride
Similarity: 0.69
[ 327-74-2 ]
2-Amino-5-cyanobenzotrifluoride
Similarity: 0.88
[ 6526-08-5 ]
2-Amino-5-(trifluoromethyl)benzonitrile
Similarity: 0.84
[ 1483-54-1 ]
2-Amino-4-(trifluoromethyl)benzonitrile
Similarity: 0.83
[ 654-70-6 ]
4-Cyano-3-trifluoromethylaniline
Similarity: 0.79
[ 49674-28-4 ]
3-Amino-5-(trifluoromethyl)benzonitrile
Similarity: 0.79
[ 327-74-2 ]
2-Amino-5-cyanobenzotrifluoride
Similarity: 0.88
[ 3107-34-4 ]
2-(Trifluoromethyl)phenylhydrazine hydrochloride
Similarity: 0.86
[ 6526-08-5 ]
2-Amino-5-(trifluoromethyl)benzonitrile
Similarity: 0.84
[ 1483-54-1 ]
2-Amino-4-(trifluoromethyl)benzonitrile
Similarity: 0.83
[ 49674-28-4 ]
3-Amino-5-(trifluoromethyl)benzonitrile
Similarity: 0.79