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CAS 1310729-91-9 3-BroMo-1,1-difluoro-cycl… molecular structure lightbox
CAS RN: 1310729-91-9

3-BroMo-1,1-difluoro-cycl…

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260111 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250118 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batchno.20260122 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250618 250mg In stock Shanghai Inquiry
Batchno.20250708 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250118 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-037752
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • 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 1310729-91-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

1310729-91-9 / 3-bromo-1,1-difluorocyclobutane

Standard CAS: 1310729-91-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1310729-91-9
Multi CAS
No
Molecular Formula
C4H5BrF2
Molecular Weight
170.980000
Exact Mass
169.954270
SMILES
C1C(CC1(F)F)Br
InChI
InChI=1S/C4H5BrF2/c5-3-1-4(6,7)2-3/h3H,1-2H2
InChIKey
YBDREFHEOWCFLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
26.9
TPSA
0.0000

LogP / Solubility

WLOGP
2.18
MLOGP
1.91
XLogP3
2.2
Consensus LogP
2.1
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.22

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] 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
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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