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CAS 72648-12-5 2-CHLORO-3-TRICHLOROMETHYLPYRIDINE molecular structure lightbox
CAS RN: 72648-12-5

2-CHLORO-3-TRICHLOROMETHYLPYRIDINE

  • Product code: SSC-182145
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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 72648-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

72648-12-5 / 2-chloro-6-(trichloromethyl)pyridine

Standard CAS: 72648-12-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
72648-12-5
Multi CAS
Yes
Molecular Formula
C6H3CL4N
Molecular Weight
230.900000
Exact Mass
230.899010
InChI
InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
InChIKey
DCUJJWWUNKIJPH-UHFFFAOYSA-N

Physical Properties

Melting Point
144.5 to 145.2 °F (NTP, 1992) 63 °C 145 °F
Boiling Point
277 to 280 °F at 11 mmHg (NTP, 1992) at 1.5kPa: 136 °C 277 to 280 °F at 11 mmHg
Density
Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.0
Physical Description
Nitrapyrin appears as colorless crystals or off-white crystalline solid. (NTP, 1992) Liquid Colorless or white, crystalline solid with a mild, sweet odor; [NIOSH] COLOURLESS-TO-WHITE CRYSTALS WITH CHARACTERISTIC ODOUR. Colorless or white, crystalline solid with a mild, sweet odor.
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
1
Molar refractivity
48.48
TPSA
12.89

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
3.4
Consensus LogP
3.37
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly 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)
-1.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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