Home Cart 0 Sign in  
X

[ CAS No. 7510-28-3 ] {[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 7510-28-3
Chemical Structure| 7510-28-3
Chemical Structure| 7510-28-3
Structure of 7510-28-3 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 7510-28-3 ]

Related Doc. of [ 7510-28-3 ]

Alternatived Products of [ 7510-28-3 ]

Product Details of [ 7510-28-3 ]

CAS No. :7510-28-3 MDL No. :MFCD12025181
Formula : C14H13Cl Boiling Point : -
Linear Structure Formula :- InChI Key :LPCDKGCUDQLTIX-UHFFFAOYSA-N
M.W : 216.71 Pubchem ID :82021
Synonyms :

Calculated chemistry of [ 7510-28-3 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.14
Num. rotatable bonds : 3
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 65.66
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.62 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.61
Log Po/w (XLOGP3) : 4.23
Log Po/w (WLOGP) : 3.86
Log Po/w (MLOGP) : 4.67
Log Po/w (SILICOS-IT) : 4.88
Consensus Log Po/w : 4.05

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.24
Solubility : 0.0124 mg/ml ; 0.0000572 mol/l
Class : Moderately soluble
Log S (Ali) : -3.94
Solubility : 0.0248 mg/ml ; 0.000115 mol/l
Class : Soluble
Log S (SILICOS-IT) : -6.35
Solubility : 0.0000977 mg/ml ; 0.000000451 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.96

Safety of [ 7510-28-3 ]

Signal Word:Danger Class:8
Precautionary Statements:P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501 UN#:3265
Hazard Statements:H302-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 7510-28-3 ]

* 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 [ 7510-28-3 ]
  • Downstream synthetic route of [ 7510-28-3 ]

[ 7510-28-3 ] Synthesis Path-Upstream   1~9

  • 1
  • [ 1586-00-1 ]
  • [ 7510-28-3 ]
Reference: [1] Journal of Organic Chemistry, 2001, vol. 66, # 8, p. 2874 - 2876
[2] Patent: US2759934, 1953, ,
  • 2
  • [ 71-43-2 ]
  • [ 7510-28-3 ]
Reference: [1] Chemistry Letters, 2000, # 9, p. 1010 - 1011
  • 3
  • [ 612-35-1 ]
  • [ 7510-28-3 ]
Reference: [1] Journal of Organic Chemistry, 2001, vol. 66, # 8, p. 2874 - 2876
  • 4
  • [ 100-44-7 ]
  • [ 14297-39-3 ]
  • [ 7510-28-3 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1931, vol. 491, p. 265,271
  • 5
  • [ 100-44-7 ]
  • [ 4714-14-1 ]
  • [ 1884-68-0 ]
  • [ 7510-28-3 ]
Reference: [1] Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1989, vol. 38, # 3.2, p. 579 - 580[2] Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1989, # 3, p. 653 - 654
  • 6
  • [ 100-44-7 ]
  • [ 14297-39-3 ]
  • [ 7510-28-3 ]
Reference: [1] Journal of Organic Chemistry, 2001, vol. 66, # 8, p. 2874 - 2876
  • 7
  • [ 100-44-7 ]
  • [ 103-50-4 ]
  • [ 14297-39-3 ]
  • [ 7510-28-3 ]
Reference: [1] Tetrahedron, 2002, vol. 58, # 24, p. 4963 - 4967
  • 8
  • [ 100-44-7 ]
  • [ 103-30-0 ]
  • [ 4714-14-1 ]
  • [ 14297-39-3 ]
  • [ 1884-68-0 ]
  • [ 7510-28-3 ]
Reference: [1] Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1989, vol. 38, # 3.2, p. 579 - 580[2] Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1989, # 3, p. 653 - 654
  • 9
  • [ 7446-70-0 ]
  • [ 100-44-7 ]
  • [ 98-95-3 ]
  • [ 14297-39-3 ]
  • [ 7510-28-3 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1931, vol. 491, p. 265,271
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 7510-28-3 ]

Aryls

Chemical Structure| 86-52-2

[ 86-52-2 ]

1-(Chloromethyl)naphthalene

Similarity: 0.93

Chemical Structure| 90-99-3

[ 90-99-3 ]

Benzhydryl Chloride

Similarity: 0.90

Chemical Structure| 102-46-5

[ 102-46-5 ]

4-(Chloromethyl)-1,2-dimethylbenzene

Similarity: 0.88

Chemical Structure| 1585-16-6

[ 1585-16-6 ]

alpha-2-Chloroisodurene

Similarity: 0.85

Chemical Structure| 3849-01-2

[ 3849-01-2 ]

1,3,5-Tris(chloromethyl)-2,4,6-trimethylbenzene

Similarity: 0.85

Chlorides

Chemical Structure| 86-52-2

[ 86-52-2 ]

1-(Chloromethyl)naphthalene

Similarity: 0.93

Chemical Structure| 90-99-3

[ 90-99-3 ]

Benzhydryl Chloride

Similarity: 0.90

Chemical Structure| 102-46-5

[ 102-46-5 ]

4-(Chloromethyl)-1,2-dimethylbenzene

Similarity: 0.88

Chemical Structure| 1585-16-6

[ 1585-16-6 ]

alpha-2-Chloroisodurene

Similarity: 0.85

Chemical Structure| 3849-01-2

[ 3849-01-2 ]

1,3,5-Tris(chloromethyl)-2,4,6-trimethylbenzene

Similarity: 0.85

Benzyl Chlorides

Chemical Structure| 86-52-2

[ 86-52-2 ]

1-(Chloromethyl)naphthalene

Similarity: 0.93

Chemical Structure| 90-99-3

[ 90-99-3 ]

Benzhydryl Chloride

Similarity: 0.90

Chemical Structure| 102-46-5

[ 102-46-5 ]

4-(Chloromethyl)-1,2-dimethylbenzene

Similarity: 0.88

Chemical Structure| 1585-16-6

[ 1585-16-6 ]

alpha-2-Chloroisodurene

Similarity: 0.85

Chemical Structure| 3849-01-2

[ 3849-01-2 ]

1,3,5-Tris(chloromethyl)-2,4,6-trimethylbenzene

Similarity: 0.85