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CAS 111721-74-5 BenzenaMine, 2-broMo-5-iodo- molecular structure lightbox
CAS RN: 111721-74-5

BenzenaMine, 2-broMo-5-iodo-

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260627 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250412 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250323 25g In stock Shanghai Inquiry
Batchno.20250131 500mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batchno.20260423 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-012287
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 111721-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

111721-74-5 / 2-bromo-5-iodoaniline

2-bromo-5-iodoaniline | RefChem:466856 | 802-353-3

Standard CAS: 111721-74-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111721-74-5
Multi CAS
No
Molecular Formula
C6H5BrIN
Molecular Weight
297.920000
Exact Mass
296.865010
SMILES
C1=CC(=C(C=C1I)N)Br
InChI
InChI=1S/C6H5BrIN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2
InChIKey
LNVKBOZTHZJQLM-UHFFFAOYSA-N
Synonyms
2-bromo-5-iodoaniline RefChem:466856 802-353-3 BenzenaMine, 2-broMo-5-iodo- 2-bromo-5-iodo-aniline

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.27
TPSA
26.02

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] 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
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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