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CAS 1261476-50-9 2-BROMO-4-CHLORO-1-(DIFLUOROMETHYL)BENZENE molecular structure lightbox
CAS RN: 1261476-50-9

2-BROMO-4-CHLORO-1-(DIFLUOROMETHYL)BENZENE

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250323 100mg Out of stock Inquiry
Batchno.20250125 1g Out of stock Inquiry
Batchno.20250610 250mg Out of stock Inquiry
  • Product code: SSC-032527
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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
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 1261476-50-9
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% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

1261476-50-9 / 2-bromo-4-chloro-1-(difluoromethyl)benzene

Standard CAS: 1261476-50-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1261476-50-9
Multi CAS
No
Molecular Formula
C7H4BrClF2
Molecular Weight
241.460000
Exact Mass
239.915300
SMILES
C1=CC(=C(C=C1Cl)Br)C(F)F
InChI
InChI=1S/C7H4BrClF2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,7H
InChIKey
ZNEQJQZXIMENQW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.11
TPSA
0.0000

LogP / Solubility

WLOGP
4.04
MLOGP
3.56
XLogP3
3.9
Consensus LogP
3.83
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.32

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 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): 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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