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CAS 1198171-18-4 1-Bromo-2-(difluoromethyl)-4-fluorobenzene molecular structure lightbox
CAS RN: 1198171-18-4

1-Bromo-2-(difluoromethyl)-4-fluorobenzene

Product Availability

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250915 100mg In stock Shanghai Inquiry
Batchno.20250603 10g In stock Shanghai Inquiry
Batchno.20260413 1g In stock Shanghai Inquiry
Batchno.20250925 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250210 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250316 25g In stock Shanghai Inquiry
Batchno.20260314 5g In stock Shanghai Inquiry
  • Product code: SSC-020586
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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: >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 1198171-18-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry
10g >97% 1 In Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

1198171-18-4 / 1-bromo-2-(difluoromethyl)-4-fluorobenzene

1-BROMO-2-(DIFLUOROMETHYL)-4-FLUOROBENZENE | DTXSID60673310 | RefChem:228354

Standard CAS: 1198171-18-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1198171-18-4
Multi CAS
No
Molecular Formula
C7H4BrF3
Molecular Weight
225.010000
Exact Mass
223.944850
SMILES
C1=CC(=C(C=C1F)C(F)F)Br
InChI
InChI=1S/C7H4BrF3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,7H
InChIKey
XCLIWLPXTOXVAA-UHFFFAOYSA-N
Synonyms
1-BROMO-2-(DIFLUOROMETHYL)-4-FLUOROBENZENE DTXSID60673310 RefChem:228354 DTXCID10624059 862-037-6

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
39.06
TPSA
0.0000

LogP / Solubility

WLOGP
3.53
MLOGP
3.11
XLogP3
3.3
Consensus LogP
3.31
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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)
-1.59

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
H227 (50%): Combustible liquid [Warning Flammable liquids] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): 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]
Precautionary Statement Codes
P210, 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, P370+P378, P403, P403+P233, P405, and P501

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