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CAS 1074-15-3 1-bromo-2-(2-bromoethyl)benzene molecular structure lightbox
CAS RN: 1074-15-3

1-bromo-2-(2-bromoethyl)benzene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260103 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-008982
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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: 0.1g, 0.25g, 1g, 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 1074-15-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1074-15-3 / 1-bromo-2-(2-bromoethyl)benzene

1-bromo-2-(2-bromoethyl)benzene | DTXSID40910311 | RefChem:75049

Standard CAS: 1074-15-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1074-15-3
Multi CAS
No
Molecular Formula
C8H8Br2
Molecular Weight
263.960000
Exact Mass
263.897230
SMILES
C1=CC=C(C(=C1)CCBr)Br
InChI
InChI=1S/C8H8Br2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKey
RUGOFYNHMCFJFD-UHFFFAOYSA-N
Synonyms
1-bromo-2-(2-bromoethyl)benzene DTXSID40910311 RefChem:75049 DTXCID001339359 833-513-0

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
Molar refractivity
51.64
TPSA
0.0000

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
3.6
Consensus LogP
3.33
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
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)
-1.93

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
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
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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