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CAS 17318-08-0 5-Bromo-1,3-dichloro-2-fluorobenzene molecular structure lightbox
CAS RN: 17318-08-0

5-Bromo-1,3-dichloro-2-fluorobenzene

  • Product code: SSC-076048
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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, 500g
  • Available purity: >98%
  • Inventory rows with stock: 3
  • 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 17318-08-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Beijing Inquiry
10g >98% 5 In Stock Hong Kong Inquiry
25g >98% 3 In Stock Shanghai Inquiry
100g >98% 0 Out of Stock Beijing Inquiry
500g >98% 0 Out of Stock Shanghai Inquiry

17318-08-0 / 5-bromo-1,3-dichloro-2-fluorobenzene

Standard CAS: 17318-08-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17318-08-0
Multi CAS
No
Molecular Formula
C6H2BrCl2F
Molecular Weight
243.880000
Exact Mass
241.870100
SMILES
C1=C(C=C(C(=C1Cl)F)Cl)Br
InChI
InChI=1S/C6H2BrCl2F/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey
MMJSIYGLDQNUTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
44.12
TPSA
0.0000

LogP / Solubility

WLOGP
3.9
MLOGP
3.43
XLogP3
4
Consensus LogP
3.78
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44

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)
Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (37.6%): Harmful if swallowed [Warning Acute toxicity, oral] H304 (61.5%): May be fatal if swallowed and enters airways [Danger Aspiration hazard] H315 (99.1%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (62.4%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (37.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P331, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

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