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CAS 1326714-93-5 3-Bromo-2,4-difluorobenzaldehyde molecular structure lightbox
CAS RN: 1326714-93-5

3-Bromo-2,4-difluorobenzaldehyde

  • Product code: SSC-039465
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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: 1g, 0.1g, 0.25g, 5g, 10g, 25g, 100g, 1000g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 1326714-93-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 4 In Stock Shenzhen Inquiry
1g >95% 4 In Stock Shanghai Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry
25g -- 0 Out of Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry
100g -- 0 Out of Stock Shenzhen Inquiry
100g >95% 0 Out of Stock Hong Kong Inquiry
1000g -- 0 Out of Stock Beijing Inquiry

1326714-93-5 / 3-bromo-2,4-difluorobenzaldehyde

Standard CAS: 1326714-93-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1326714-93-5
Multi CAS
No
Molecular Formula
C7H3BrF2O
Molecular Weight
221.000000
Exact Mass
219.933530
SMILES
C1=CC(=C(C(=C1C=O)F)Br)F
InChI
InChI=1S/C7H3BrF2O/c8-6-5(9)2-1-4(3-11)7(6)10/h1-3H
InChIKey
KNUJOBHCYUUMBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
39.45
TPSA
17.07

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.3
Consensus LogP
2.36
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.26

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
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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