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CAS 1647-23-0 1-Bromo-3,3-dimethylbutane molecular structure lightbox
CAS RN: 1647-23-0

1-Bromo-3,3-dimethylbutane

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250303 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-072006
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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, 25g, 5g, 100g
  • Available purity: ≥98%
  • 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 1647-23-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shenzhen Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 4 In Stock Hong Kong Inquiry
100g ≥98% 3 In Stock Hong Kong Inquiry

1647-23-0 / 1-bromo-3,3-dimethylbutane

Standard CAS: 1647-23-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1647-23-0
Multi CAS
No
Molecular Formula
C6H13Br
Molecular Weight
165.070000
Exact Mass
164.020060
SMILES
CC(C)(C)CCBr
InChI
InChI=1S/C6H13Br/c1-6(2,3)4-5-7/h4-5H2,1-3H3
InChIKey
ROKZAMCDHKVZIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
37.87
TPSA
0.0000

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
3.1
Consensus LogP
2.8
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73

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)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids] H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids] H302 (66.7%): 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]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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