Home Cart 0 Sign in  
X

[ CAS No. 344-19-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

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+
3d Animation Molecule Structure of 344-19-4
Chemical Structure| 344-19-4
Chemical Structure| 344-19-4
Structure of 344-19-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 344-19-4 ]

Related Doc. of [ 344-19-4 ]

Alternatived Products of [ 344-19-4 ]

Product Details of [ 344-19-4 ]

CAS No. :344-19-4 MDL No. :MFCD00142845
Formula : C6H4Cl2FN Boiling Point : -
Linear Structure Formula :- InChI Key :YAUYKCFMKMZTEX-UHFFFAOYSA-N
M.W : 180.01 Pubchem ID :2774008
Synonyms :

Calculated chemistry of [ 344-19-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 40.82
TPSA : 26.02 Ų

Pharmacokinetics

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) : -5.15 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.9
Log Po/w (XLOGP3) : 3.16
Log Po/w (WLOGP) : 3.14
Log Po/w (MLOGP) : 3.1
Log Po/w (SILICOS-IT) : 2.84
Consensus Log Po/w : 2.83

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.39
Solubility : 0.0732 mg/ml ; 0.000407 mol/l
Class : Soluble
Log S (Ali) : -3.38
Solubility : 0.0756 mg/ml ; 0.00042 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.55
Solubility : 0.051 mg/ml ; 0.000283 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.52

Safety of [ 344-19-4 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405 UN#:2811
Hazard Statements:H301+H311+H331-H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 344-19-4 ]

* 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 [ 344-19-4 ]
  • Downstream synthetic route of [ 344-19-4 ]

[ 344-19-4 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 371-40-4 ]
  • [ 344-19-4 ]
Reference: [1] Acta Chimica Academiae Scientiarum Hungaricae, 1957, vol. 10, p. 227,229
[2] Chemical Communications, 2013, vol. 49, # 94, p. 11044 - 11046
  • 2
  • [ 106-49-0 ]
  • [ 344-19-4 ]
Reference: [1] Chemical Communications, 2013, vol. 49, # 94, p. 11044 - 11046
  • 3
  • [ 2106-02-7 ]
  • [ 344-19-4 ]
Reference: [1] Chemical Communications, 2013, vol. 49, # 94, p. 11044 - 11046
  • 4
  • [ 392-16-5 ]
  • [ 344-19-4 ]
Reference: [1] Acta Chimica Academiae Scientiarum Hungaricae, 1957, vol. 10, p. 227,229
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 344-19-4 ]

Fluorinated Building Blocks

Chemical Structure| 2106-02-7

[ 2106-02-7 ]

2-Chloro-4-fluoroaniline

Similarity: 0.90

Chemical Structure| 36556-56-6

[ 36556-56-6 ]

2-Chloro-4,6-difluoroaniline

Similarity: 0.87

Chemical Structure| 363-51-9

[ 363-51-9 ]

2-Chloro-6-fluoroaniline

Similarity: 0.87

Chemical Structure| 2613-32-3

[ 2613-32-3 ]

2-Chloro-4,5-difluoroaniline

Similarity: 0.87

Chemical Structure| 452-83-5

[ 452-83-5 ]

2-Chloro-5-fluoroaniline

Similarity: 0.86

Aryls

Chemical Structure| 2106-02-7

[ 2106-02-7 ]

2-Chloro-4-fluoroaniline

Similarity: 0.90

Chemical Structure| 36556-56-6

[ 36556-56-6 ]

2-Chloro-4,6-difluoroaniline

Similarity: 0.87

Chemical Structure| 363-51-9

[ 363-51-9 ]

2-Chloro-6-fluoroaniline

Similarity: 0.87

Chemical Structure| 2613-32-3

[ 2613-32-3 ]

2-Chloro-4,5-difluoroaniline

Similarity: 0.87

Chemical Structure| 452-83-5

[ 452-83-5 ]

2-Chloro-5-fluoroaniline

Similarity: 0.86

Chlorides

Chemical Structure| 2106-02-7

[ 2106-02-7 ]

2-Chloro-4-fluoroaniline

Similarity: 0.90

Chemical Structure| 36556-56-6

[ 36556-56-6 ]

2-Chloro-4,6-difluoroaniline

Similarity: 0.87

Chemical Structure| 363-51-9

[ 363-51-9 ]

2-Chloro-6-fluoroaniline

Similarity: 0.87

Chemical Structure| 2613-32-3

[ 2613-32-3 ]

2-Chloro-4,5-difluoroaniline

Similarity: 0.87

Chemical Structure| 452-83-5

[ 452-83-5 ]

2-Chloro-5-fluoroaniline

Similarity: 0.86

Amines

Chemical Structure| 2106-02-7

[ 2106-02-7 ]

2-Chloro-4-fluoroaniline

Similarity: 0.90

Chemical Structure| 36556-56-6

[ 36556-56-6 ]

2-Chloro-4,6-difluoroaniline

Similarity: 0.87

Chemical Structure| 363-51-9

[ 363-51-9 ]

2-Chloro-6-fluoroaniline

Similarity: 0.87

Chemical Structure| 2613-32-3

[ 2613-32-3 ]

2-Chloro-4,5-difluoroaniline

Similarity: 0.87

Chemical Structure| 452-83-5

[ 452-83-5 ]

2-Chloro-5-fluoroaniline

Similarity: 0.86