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CAS 1951-11-7 Butanoyl chloride, 3-chloro- molecular structure lightbox
CAS RN: 1951-11-7

Butanoyl chloride, 3-chloro-

  • Product code: SSC-091994
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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: 0.25g, 0.1g, 5g, 10g, 25g, 1g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • 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 1951-11-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
0.1g >95% 3 In Stock Hong Kong Inquiry
5g >95% 3 In Stock Shanghai Inquiry
10g >95% 3 In Stock Hong Kong Inquiry
25g >95% 3 In Stock Shanghai Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
100g >95% 2 In Stock Beijing Inquiry

1951-11-7 / 3-chlorobutanoyl chloride

Standard CAS: 1951-11-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1951-11-7
Multi CAS
No
Molecular Formula
C4H6Cl2O
Molecular Weight
140.990000
Exact Mass
139.979570
SMILES
CC(CC(=O)Cl)Cl
InChI
InChI=1S/C4H6Cl2O/c1-3(5)2-4(6)7/h3H,2H2,1H3
InChIKey
ATANUYPSKXKEDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
30.79
TPSA
17.07

LogP / Solubility

WLOGP
1.77
MLOGP
1.55
XLogP3
1.7
Consensus LogP
1.67
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
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)
-2.32

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
2

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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