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CAS 13014-18-1 2,4-Dichlorobenzotrichloride molecular structure lightbox
CAS RN: 13014-18-1

2,4-Dichlorobenzotrichloride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250527 100g In stock Shanghai Inquiry
Batchno.20250503 1kg In stock Shanghai Inquiry
Batchno.20250116 25g In stock Shanghai Inquiry
Batchno.20251216 500g In stock Shanghai Inquiry
  • Product code: SSC-036842
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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: 25g
  • 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 13014-18-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

13014-18-1 / 2,4-dichloro-1-(trichloromethyl)benzene

Standard CAS: 13014-18-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13014-18-1
Multi CAS
No
Molecular Formula
C7H3Cl5
Molecular Weight
264.400000
Exact Mass
263.864788
SMILES
C1=CC(=C(C=C1Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C7H3Cl5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
InChIKey
KZSNBJMYJWDVTK-UHFFFAOYSA-N

Physical Properties

Melting Point
115 to 120 °F (NTP, 1992)
Physical Description
2,4,alpha,alpha,alpha-pentachlorotoluene is a white crystalline powder. (NTP, 1992)
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Molar refractivity
55.7
TPSA
0.0000

LogP / Solubility

WLOGP
4.82
MLOGP
4.25
XLogP3
5.5
Consensus LogP
4.86
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.91

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H413 (90.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501

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