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CAS 1204333-52-7 MFYNCTJUIOMWME-UHFFFAOYSA-N molecular structure lightbox
CAS RN: 1204333-52-7

MFYNCTJUIOMWME-UHFFFAOYSA-N

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250128 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251028 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250607 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260113 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-021425
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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: 12
  • 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 1204333-52-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 3 In Stock Shanghai Inquiry
0.1g ≥97% 3 In Stock Beijing Inquiry
0.25g -- 3 In Stock Shenzhen Inquiry
0.25g ≥97% 3 In Stock Shenzhen Inquiry
1g -- 3 In Stock Shenzhen Inquiry
1g ≥97% 3 In Stock Shanghai Inquiry
5g -- 3 In Stock Shenzhen Inquiry
5g ≥97% 3 In Stock Beijing Inquiry
10g -- 3 In Stock Beijing Inquiry
10g ≥97% 3 In Stock Shanghai Inquiry
25g -- 2 In Stock Hong Kong Inquiry
25g ≥97% 2 In Stock Shanghai Inquiry

1204333-52-7 / 1-bromo-3-(difluoromethyl)-2-fluorobenzene

1-bromo-3-(difluoromethyl)-2-fluorobenzene | DTXSID80673312 | RefChem:228473

Standard CAS: 1204333-52-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1204333-52-7
Multi CAS
No
Molecular Formula
C7H4BrF3
Molecular Weight
225.010000
Exact Mass
223.944850
SMILES
C1=CC(=C(C(=C1)Br)F)C(F)F
InChI
InChI=1S/C7H4BrF3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,7H
InChIKey
MFYNCTJUIOMWME-UHFFFAOYSA-N
Synonyms
1-bromo-3-(difluoromethyl)-2-fluorobenzene DTXSID80673312 RefChem:228473 DTXCID80624061 856-486-7

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 (100%): Combustible liquid [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, 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, P370+P378, P403, P403+P233, P405, and P501

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