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CAS 1099597-32-6 2-Bromo-4-chlorobenzotrifluoride molecular structure lightbox
CAS RN: 1099597-32-6

2-Bromo-4-chlorobenzotrifluoride

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 1g In stock Shanghai Inquiry
Batchno.20251104 200mg In stock Shanghai, Shandong Inquiry
Batchno.20260131 5g In stock Shandong Inquiry
  • Product code: SSC-011200
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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: 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1099597-32-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
10g ≥95% 5 In Stock Shanghai Inquiry
25g ≥95% 1 In Stock Shanghai Inquiry

1099597-32-6 / 2-bromo-4-chloro-1-(trifluoromethyl)benzene

2-bromo-4-chloro-1-(trifluoromethyl)benzene | DTXSID40604400 | RefChem:85707

Standard CAS: 1099597-32-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1099597-32-6
Multi CAS
No
Molecular Formula
C7H3BrClF3
Molecular Weight
259.450000
Exact Mass
257.905870
SMILES
C1=CC(=C(C=C1Cl)Br)C(F)(F)F
InChI
InChI=1S/C7H3BrClF3/c8-6-3-4(9)1-2-5(6)7(10,11)12/h1-3H
InChIKey
ZIPJFBGICWZITF-UHFFFAOYSA-N
Synonyms
2-bromo-4-chloro-1-(trifluoromethyl)benzene DTXSID40604400 RefChem:85707 DTXCID10555157 806-642-5

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
44.15
TPSA
0.0000

LogP / Solubility

WLOGP
4.12
MLOGP
3.63
XLogP3
4.1
Consensus LogP
3.95
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
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)
-1.38

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 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): 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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