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CAS 7572-29-4 Dichloroethyne molecular structure lightbox
CAS RN: 7572-29-4

Dichloroethyne

  • Product code: SSC-185177
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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 7572-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

7572-29-4 / 1,2-dichloroethyne

Standard CAS: 7572-29-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7572-29-4
Multi CAS
No
Molecular Formula
C2CL2
Molecular Weight
94.920000
Exact Mass
93.937705
InChI
InChI=1S/C2Cl2/c3-1-2-4
InChIKey
ZMJOVJSTYLQINE-UHFFFAOYSA-N

Physical Properties

Melting Point
-87 to -58 °F (NIOSH, 2024) -66 to -64 °C -66 °C -58 to -87 °F
Boiling Point
90 °F at 760 mmHg (Explodes) (NIOSH, 2024) 33 °C 32 °C (explodes) 90 °F (explodes) 90 °F (Explodes)
Density
1.26 (NIOSH, 2024) - Denser than water; will sink 1.261 at 20 °C Relative density (water = 1): 1.2 1.26
Physical Description
Volatile oil with a disagreeable, sweetish odor. Mp: -68 to -65 °C; bp: 32-34 °C. Density: 1.38 g cm-3. Is not produced commercially. Volatile oil with a disagreeable, sweetish odor. [Note: A gas above 90 degrees F. DCA is not produced commercially.] [NIOSH] OILY LIQUID WITH CHARACTERISTIC ODOUR. Volatile oil with a disagreeable, sweetish odor. Volatile oil with a disagreeable, sweetish odor. [Note: A gas above 90 °F. DCA is not produced commercially.]
Appearance
Colorless oil Liquid (or colorless gas at elevated temperatures)
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
4
Molar refractivity
19.48
TPSA
0.0000

LogP / Solubility

WLOGP
1.38
MLOGP
1.2
XLogP3
2.3
Consensus LogP
1.63
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
Class (SILICOS-IT)
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
1

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