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CAS 1711-07-5 3-Fluorobenzoyl Chloride molecular structure lightbox
CAS RN: 1711-07-5

3-Fluorobenzoyl Chloride

  • Product code: SSC-075382
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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: 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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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 1711-07-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 4 In Stock Shanghai Inquiry
10g >97% 3 In Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

1711-07-5 / 3-fluorobenzoyl chloride

Standard CAS: 1711-07-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1711-07-5
Multi CAS
No
Molecular Formula
C7H4ClFO
Molecular Weight
158.560000
Exact Mass
157.993471
SMILES
C1=CC(=CC(=C1)F)C(=O)Cl
InChI
InChI=1S/C7H4ClFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H
InChIKey
SYVNVEGIRVXRQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.58
TPSA
17.07

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
3.1
Consensus LogP
2.41
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-2.12

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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