[email protected]
CAS 1736-60-3 Allylpentafluorobenzene molecular structure lightbox
CAS RN: 1736-60-3

Allylpentafluorobenzene

  • Product code: SSC-076228
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 1000g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1736-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry
1g -- 0 Out of Stock Hong Kong Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g -- 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry
25g -- 0 Out of Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry
1000g -- 0 Out of Stock Beijing Inquiry

1736-60-3 / 1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene

Standard CAS: 1736-60-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1736-60-3
Multi CAS
No
Molecular Formula
C9H5F5
Molecular Weight
208.130000
Exact Mass
208.031141
SMILES
C=CCC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C9H5F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2H,1,3H2
InChIKey
YBDBTBVNQQBHGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
40.13
TPSA
0.0000

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
3.5
Consensus LogP
3.12
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us