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CAS 1002356-02-6 1-(3-broMophenyl)-2,2-difluoroethanone molecular structure lightbox
CAS RN: 1002356-02-6

1-(3-broMophenyl)-2,2-difluoroethanone

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250208 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260430 100mg In stock Shanghai Inquiry
Batchno.20250625 1g In stock Shanghai Inquiry
Batchno.20251227 250mg In stock Shanghai Inquiry
  • Product code: SSC-000669
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1002356-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1002356-02-6 / 1-(3-bromophenyl)-2,2-difluoroethanone

1-(3-Bromophenyl)-2,2-difluoroethanone | 1-(3-Bromophenyl)-2,2-difluoroethan-1-one | MFCD24447531

Standard CAS: 1002356-02-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1002356-02-6
Multi CAS
No
Molecular Formula
C8H5BrF2O
Molecular Weight
235.020000
Exact Mass
233.949180
SMILES
C1=CC(=CC(=C1)Br)C(=O)C(F)F
InChI
InChI=1S/C8H5BrF2O/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,8H
InChIKey
HZELFBPCXLKNMP-UHFFFAOYSA-N
Synonyms
1-(3-Bromophenyl)-2,2-difluoroethanone 1-(3-Bromophenyl)-2,2-difluoroethan-1-one MFCD24447531 1-(3-Bromo-phenyl)-2,2-difluoro-ethanone SCHEMBL362529

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
44.48
TPSA
17.07

LogP / Solubility

WLOGP
2.9
MLOGP
2.55
XLogP3
3.1
Consensus LogP
2.85
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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