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CAS 1041205-43-9 1-(difluoroMethyl)-4-iodo-1H-pyrazole molecular structure lightbox
CAS RN: 1041205-43-9

1-(difluoroMethyl)-4-iodo-1H-pyrazole

Product Availability

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250703 100mg / 250mg / 1g / 5g / 10g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250215 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260509 1g In stock Tianjin, Chengdu Inquiry
Batchno.20260224 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260101 25g Out of stock Inquiry
Batchno.20250603 5g Out of stock Inquiry
  • Product code: SSC-005895
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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, 10g, 5g, 0.1g, 0.25g, 25g, 100g
  • Available purity: >96%
  • 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 1041205-43-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >96% 5 In Stock Shenzhen Inquiry
10g >96% 5 In Stock Hong Kong Inquiry
5g >96% 4 In Stock Shanghai Inquiry
0.1g >96% 1 In Stock Beijing Inquiry
0.25g >96% 1 In Stock Hong Kong Inquiry
25g >96% 0 Out of Stock Shanghai Inquiry
100g >96% 0 Out of Stock Hong Kong Inquiry

1041205-43-9 / 1-(difluoromethyl)-4-iodopyrazole

1-(Difluoromethyl)-4-iodo-1H-pyrazole | DTXSID30728306 | RefChem:226530

Standard CAS: 1041205-43-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1041205-43-9
Multi CAS
Yes
Molecular Formula
C4H3F2IN2
Molecular Weight
243.980000
Exact Mass
243.930900
SMILES
C1=C(C=NN1C(F)F)I
InChI
InChI=1S/C4H3F2IN2/c5-4(6)9-2-3(7)1-8-9/h1-2,4H
InChIKey
VMZIHPOJBPKGDR-UHFFFAOYSA-N
Synonyms
1-(Difluoromethyl)-4-iodo-1H-pyrazole DTXSID30728306 RefChem:226530 DTXCID20679050 867-340-7

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
36.2
TPSA
17.82

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1.7
Consensus LogP
1.75
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-2.87

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)
Irritant
Signal
Warning
GHS Hazard Statements
H227 (50%): Combustible liquid [Warning Flammable liquids] H302 (50%): 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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