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CAS 1196156-51-0 4-bromo-1,1-difluorocyclohexane molecular structure lightbox
CAS RN: 1196156-51-0

4-bromo-1,1-difluorocyclohexane

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250505 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20250426 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260618 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20250608 5g In stock Shanghai Inquiry
  • Product code: SSC-020275
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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, 5g, 10g, 25g
  • Available purity: >98%
  • 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 1196156-51-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 2 In Stock Beijing Inquiry
0.25g >98% 2 In Stock Shanghai Inquiry
1g >98% 2 In Stock Shenzhen Inquiry
5g >98% 2 In Stock Shanghai Inquiry
10g >98% 2 In Stock Shenzhen Inquiry
25g >98% 2 In Stock Beijing Inquiry

1196156-51-0 / 4-bromo-1,1-difluorocyclohexane

4-Bromo-1,1-difluorocyclohexane | 4-Bromo-1,1-difluoro-cyclohexane | DTXSID201303409

Standard CAS: 1196156-51-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1196156-51-0
Multi CAS
No
Molecular Formula
C6H9BrF2
Molecular Weight
199.040000
Exact Mass
197.985570
SMILES
C1CC(CCC1Br)(F)F
InChI
InChI=1S/C6H9BrF2/c7-5-1-3-6(8,9)4-2-5/h5H,1-4H2
InChIKey
SPBBBQOVOAUKEG-UHFFFAOYSA-N
Synonyms
4-Bromo-1,1-difluorocyclohexane 4-Bromo-1,1-difluoro-cyclohexane DTXSID201303409 RefChem:518799 DTXCID201733446

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
36.13
TPSA
0.0000

LogP / Solubility

WLOGP
2.96
MLOGP
2.6
XLogP3
2.9
Consensus LogP
2.82
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-1.83

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H227 (33.3%): Combustible liquid [Warning Flammable liquids] H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501

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