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CAS 127168-82-5 1-broMo-2,3-bis(broMoMethyl)benzene molecular structure lightbox
CAS RN: 127168-82-5

1-broMo-2,3-bis(broMoMethyl)benzene

  • Product code: SSC-034665
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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
  • Available purity: >97%
  • 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 127168-82-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry

127168-82-5 / 1-bromo-2,3-bis(bromomethyl)benzene

Standard CAS: 127168-82-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
127168-82-5
Multi CAS
No
Molecular Formula
C8H7Br3
Molecular Weight
342.850000
Exact Mass
341.807740
SMILES
C1=CC(=C(C(=C1)Br)CBr)CBr
InChI
InChI=1S/C8H7Br3/c9-4-6-2-1-3-8(11)7(6)5-10/h1-3H,4-5H2
InChIKey
ASZRHSLOVXUBHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
Molar refractivity
59.4
TPSA
0.0000

LogP / Solubility

WLOGP
4.24
MLOGP
3.75
XLogP3
3.7
Consensus LogP
3.9
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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