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CAS 102684-91-3 2-Bromo-5-(trifluoromethyl)benzaldehyde molecular structure lightbox
CAS RN: 102684-91-3

2-Bromo-5-(trifluoromethyl)benzaldehyde

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260105 100g Out of stock Inquiry
Batchno.20251126 10g In stock Inquiry
Batchno.20260123 1g In stock Inquiry
Batchno.20250412 25g In stock Inquiry
Batchno.20260603 5g In stock Inquiry
  • Product code: SSC-003988
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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, 5g, 10g, 100g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 102684-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Shanghai Inquiry
100g >97% 5 In Stock Hong Kong Inquiry
25g >97% 4 In Stock Hong Kong Inquiry

102684-91-3 / 2-bromo-5-(trifluoromethyl)benzaldehyde

2-Bromo-5-(trifluoromethyl)benzaldehyde | DTXSID00907984 | RefChem:466747

Standard CAS: 102684-91-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102684-91-3
Multi CAS
Yes
Molecular Formula
C8H4BrF3O
Molecular Weight
253.020000
Exact Mass
251.939760
SMILES
C1=CC(=C(C=C1C(F)(F)F)C=O)Br
InChI
InChI=1S/C8H4BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H
InChIKey
CSOBJYGHQOLWOD-UHFFFAOYSA-N
Synonyms
2-Bromo-5-(trifluoromethyl)benzaldehyde DTXSID00907984 RefChem:466747 DTXCID301337071 672-156-3

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.53
TPSA
17.07

LogP / Solubility

WLOGP
3.28
MLOGP
2.89
XLogP3
3
Consensus LogP
3.06
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly 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)
-1.93

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (11.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (77.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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