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CAS 1427382-15-7 2-bromo-3-fluoro-6-hydroxybenzaldehyde molecular structure lightbox
CAS RN: 1427382-15-7

2-bromo-3-fluoro-6-hydroxybenzaldehyde

  • Product code: SSC-053714
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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: 0.1g, 0.25g, 1g
  • Available purity: >98%
  • 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 1427382-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Shanghai Inquiry
0.25g >98% 1 In Stock Hong Kong Inquiry
1g >98% 0 Out of Stock Shenzhen Inquiry

1427382-15-7 / 2-bromo-3-fluoro-6-hydroxybenzaldehyde

Standard CAS: 1427382-15-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1427382-15-7
Multi CAS
No
Molecular Formula
C7H4BrFO2
Molecular Weight
219.010000
Exact Mass
217.937870
SMILES
C1=CC(=C(C(=C1O)C=O)Br)F
InChI
InChI=1S/C7H4BrFO2/c8-7-4(3-10)6(11)2-1-5(7)9/h1-3,11H
InChIKey
HRMRQEBLDLBPEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.15
TPSA
37.3

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
2.4
Consensus LogP
2.12
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.56

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 (100%): 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 (100%): 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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