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CAS 276863-95-7 3-(4-Chloro-1-oxobutyl)indole-5-carbonitrile molecular structure lightbox
CAS RN: 276863-95-7

3-(4-Chloro-1-oxobutyl)indole-5-carbonitrile

  • Product code: SSC-127905
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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: 1g
  • Available purity: ≥95%
  • 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 276863-95-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

276863-95-7 / methanol

Standard CAS: 276863-95-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
276863-95-7
Multi CAS
Yes
Molecular Formula
CH4O
Molecular Weight
32.042000
Exact Mass
32.026215
InChI
InChI=1S/CH4O/c1-2/h2H,1H3
InChIKey
OKKJLVBELUTLKV-UHFFFAOYSA-N

Physical Properties

Melting Point
-144 °F (NTP, 1992) -97.8 °C -97.6 °C -98 °C -144 °F
Boiling Point
148.3 °F at 760 mmHg (NTP, 1992) 64.7 °C at 760 mm Hg 64.00 to 65.00 °C. @ 760.00 mm Hg 65 °C 147 °F
Density
0.792 at 68 °F (USCG, 1999) - Less dense than water; will float 0.8100 at 0 °C/4 °C; 0.7866 at 25 °C/4 °C Relative density (water = 1): 0.79 0.79
Physical Description
Methanol appears as a colorless fairly volatile liquid with a faintly sweet pungent odor like that of ethyl alcohol. Completely mixes with water. The vapors are slightly heavier than air and may travel some distance to a source of ignition and flash back. Any accumulation of vapors in confined spaces, such as buildings or sewers, may explode if ignited. Used to make chemicals, to remove water from automotive and aviation fuels, as a solvent for paints and plastics, and as an ingredient in a wide variety of products. Methanol, tallow alkyl iminobisethanol appears as a yellow-colored liquid with an "alcohol" odor. Less dense than water. Vapors heavier than air. Corrosive. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals. Liquid; Dry Powder, Liquid; Pellets or Large Crystals Colorless liquid with a characteristic pungent odor; [NIOSH] Liquid
Appearance
Colorless liquid Clear, colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
2
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
8.14
TPSA
20.23

LogP / Solubility

WLOGP
-0.39
MLOGP
-0.36
XLogP3
-0.5
Consensus LogP
-0.42
Log S (ESOL)
0.21
Class (ESOL)
Highly soluble
Log S (Ali)
0.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.46
Class (SILICOS-IT)
Highly 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)
-3.19

Drug-likeness / Medicinal Chemistry

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

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