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CAS 1458-98-6 3-Bromo-2-methyl-1-propene molecular structure lightbox
CAS RN: 1458-98-6

3-Bromo-2-methyl-1-propene

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260629 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-057023
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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, 5g, 10g, 100g, 25g, 500g, 1000g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 1458-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Shenzhen Inquiry
100g >95% 5 In Stock Beijing Inquiry
25g >95% 4 In Stock Beijing Inquiry
500g >95% 2 In Stock Shanghai Inquiry
1000g >95% 0 Out of Stock Hong Kong Inquiry

1458-98-6 / 3-bromo-2-methylprop-1-ene

Standard CAS: 1458-98-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1458-98-6
Multi CAS
No
Molecular Formula
C4H7Br
Molecular Weight
135.000000
Exact Mass
133.973110
SMILES
CC(=C)CBr
InChI
InChI=1S/C4H7Br/c1-4(2)3-5/h1,3H2,2H3
InChIKey
USEGQJLHQSTGHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
Molar refractivity
28.61
TPSA
0.0000

LogP / Solubility

WLOGP
1.96
MLOGP
1.71
XLogP3
2.3
Consensus LogP
1.99
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.15

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

Safety & Transport

Pictogram(s)
Flammable Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H302+H332 (76.5%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (88.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501

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