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CAS 1073-67-2 4-Chlorostyrene (stabilized with TBC) molecular structure lightbox
CAS RN: 1073-67-2

4-Chlorostyrene (stabilized with TBC)

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250504 2g / 10g / 25g / 50g / 250g / 1kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: ICTC0290
  • Purity/Analytical Methods: >98.0%(GC)
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1073-67-2 / 1-chloro-4-ethenylbenzene

4-Chlorostyrene | P-CHLOROSTYRENE | Benzene, 1-chloro-4-ethenyl-

Standard CAS: 1073-67-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1073-67-2
Multi CAS
Yes
Molecular Formula
C8H7Cl
Molecular Weight
138.590000
Exact Mass
138.023628
SMILES
C=CC1=CC=C(C=C1)Cl
InChI
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InChIKey
KTZVZZJJVJQZHV-UHFFFAOYSA-N
Synonyms
4-Chlorostyrene P-CHLOROSTYRENE Benzene, 1-chloro-4-ethenyl- Parachlorostyrene Styrene, p-chloro-

Physical Properties

Melting Point
-15.90 °C
Boiling Point
192 °C
Density
1.0868 @ 20 °C/4 °C
Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
Molar refractivity
41.54
TPSA
0.0000

LogP / Solubility

WLOGP
2.98
MLOGP
2.62
XLogP3
3.7
Consensus LogP
3.1
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-1.45

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H226 (18.2%): Flammable liquid and vapor [Warning Flammable liquids] H315 (90.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (81.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (72.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H411 (18.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501

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