[ CAS No. 320-50-3 ] {[proInfo.proName]}

Name: 320-50-3|1,4-Dichloro-2-(trifluoromethyl)benzene|98%
Brand: Ambeed
SKU: A567650
Price: 7.0 USD
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DV 2D 3D

3d Animation Molecule Structure of 320-50-3

Structure of 320-50-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 320-50-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 320-50-3 ]

SDS Specification

Alternatived Products of [ 320-50-3 ]

Product Details of [ 320-50-3 ]

CAS No. :	320-50-3	MDL No. :	MFCD00000608
Formula :	C₇H₃Cl₂F₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DYBYUWVMLBBEMA-UHFFFAOYSA-N
M.W :	215.00	Pubchem ID :	35360
Synonyms :

Calculated chemistry of [ 320-50-3 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	41.46
TPSA :	0.0 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.22 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.32
Log Po/w (XLOGP3) :	4.78
Log Po/w (WLOGP) :	5.16
Log Po/w (MLOGP) :	4.51
Log Po/w (SILICOS-IT) :	4.13
Consensus Log Po/w :	4.18

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.49
Solubility :	0.00698 mg/ml ; 0.0000325 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.51
Solubility :	0.00662 mg/ml ; 0.0000308 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-4.52
Solubility :	0.00645 mg/ml ; 0.00003 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.37

Safety of [ 320-50-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 320-50-3 ]

* 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.

Upstream synthesis route of [ 320-50-3 ]
Downstream synthetic route of [ 320-50-3 ]

[ 320-50-3 ] Synthesis Path-Upstream 1~18

1
[ 320-50-3 ]
[ 320-51-4 ]

Reference： [1] Organic Letters, 2015, vol. 17, # 23, p. 5934 - 5937
[2] Patent: CN107915676, 2018, A,

2
[ 106-46-7 ]
[ 320-50-3 ]

Reference： [1] ACS Catalysis, 2018, vol. 8, # 4, p. 2839 - 2843

3
[ 106-46-7 ]
[ 14353-88-9 ]
[ 320-50-3 ]

Reference： [1] ACS Catalysis, 2018, vol. 8, # 4, p. 2839 - 2843

4
[ 106-46-7 ]
[ 29848-52-0 ]
[ 320-50-3 ]

Reference： [1] ACS Catalysis, 2018, vol. 8, # 4, p. 2839 - 2843

5
[ 106-46-7 ]
[ 320-50-3 ]

Reference： [1] ACS Catalysis, 2018, vol. 8, # 4, p. 2839 - 2843

6
[ 106-46-7 ]
[ 2926-29-6 ]
[ 320-50-3 ]

Reference： [1] New Journal of Chemistry, 2017, vol. 41, # 4, p. 1417 - 1420

7
[ 106-46-7 ]
[ 76-05-1 ]
[ 320-50-3 ]

Reference： [1] Journal of Organic Chemistry, 1988, vol. 53, # 19, p. 4582 - 4585

8
[ 61841-46-1 ]
[ 320-50-3 ]

Reference： [1] J. Gen. Chem. USSR (Engl. Transl.), 1977, vol. 47, # 4, p. 713 - 716[2] Zhurnal Obshchei Khimii, 1977, vol. 47, # 4, p. 782 - 785

9
[ 106-46-7 ]
[ 2966-50-9 ]
[ 320-50-3 ]

Reference： [1] Journal of the Chemical Society - Series Chemical Communications, 1993, # 17, p. 1359 - 1361

10
[ 98-08-8 ]
[ 328-84-7 ]
[ 320-50-3 ]
[ 54773-20-5 ]
[ 54773-19-2 ]
[ 98-15-7 ]