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CAS 630-20-6 1,1,1,2-Tetrachloroethane molecular structure lightbox
CAS RN: 630-20-6

1,1,1,2-Tetrachloroethane

  • Product code: SSC-172471
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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: 10g
  • 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 630-20-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

630-20-6 / 1,1,1,2-tetrachloroethane

Standard CAS: 630-20-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
630-20-6
Multi CAS
No
Molecular Formula
C2H2CL4
Molecular Weight
167.800000
Exact Mass
167.888111
InChI
InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2
InChIKey
QVLAWKAXOMEXPM-UHFFFAOYSA-N

Physical Properties

Melting Point
-94.4 °F (NTP, 1992) -70.2 °C -94 °F
Boiling Point
266.9 °F at 760 mmHg (NTP, 1992) 130.2 °C 130.5 °C 267 °F
Density
1.5406 at 68 °F (NTP, 1992) - Denser than water; will sink 1.5406 g/cu cm at 20 °C Relative density (water = 1): 1.54 1.54
Physical Description
1,1,1,2-tetrachloroethane is a clear colorless liquid. (NTP, 1992) Yellowish-red liquid; [NIOSH] Yellow to red liquid; [ICSC] Clear colorless liquid; [NTP] Colorless liquid with a sweet odor like chloroform; [CAMEO] YELLOW-TO-RED LIQUID. Yellowish-red liquid.
Appearance
Colorless, heavy liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Molar refractivity
31.01
TPSA
0.0000

LogP / Solubility

WLOGP
2.6
MLOGP
2.28
XLogP3
2.7
Consensus LogP
2.53
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-1.9

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
1.5

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