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CAS 19660-16-3 2,3-Dibromopropyl Acrylate molecular structure lightbox
CAS RN: 19660-16-3

2,3-Dibromopropyl Acrylate

  • Product code: SSC-092827
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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: ＞97%
  • 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 19660-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

19660-16-3 / 2,3-dibromopropyl prop-2-enoate

Standard CAS: 19660-16-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
19660-16-3
Multi CAS
No
Molecular Formula
C6H8Br2O2
Molecular Weight
271.930000
Exact Mass
271.887060
SMILES
C=CC(=O)OCC(CBr)Br
InChI
InChI=1S/C6H8Br2O2/c1-2-6(9)10-4-5(8)3-7/h2,5H,1,3-4H2
InChIKey
MUKJDVAYJDKPAG-UHFFFAOYSA-N

Physical Properties

Physical Description
2,3-dibromopropyl acrylate is a clear light brown liquid. (NTP, 1992)
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this chemical from exposure to air and light, and store it under freezer conditions. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
47.67
TPSA
26.3

LogP / Solubility

WLOGP
1.87
MLOGP
1.66
XLogP3
2.3
Consensus LogP
1.94
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-3.05

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
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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