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CAS 10387-13-0 9,10-Bis(chloromethyl)anthracene molecular structure lightbox
CAS RN: 10387-13-0

9,10-Bis(chloromethyl)anthracene

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250512 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250607 1g In stock Inquiry
Batchno.20260420 250mg In stock Inquiry
Batchno.20250704 25g In stock Inquiry
Batchno.20250408 5g In stock Inquiry
  • Product code: SSC-005504
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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: 5g
  • Available purity: ≥97%
  • 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 10387-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

10387-13-0 / 9,10-bis(chloromethyl)anthracene

9,10-Bis(chloromethyl)anthracene | ANTHRACENE, 9,10-BIS(CHLOROMETHYL)- | ICR-450

Standard CAS: 10387-13-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10387-13-0
Multi CAS
Yes
Molecular Formula
C16H12Cl2
Molecular Weight
275.200000
Exact Mass
274.031606
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CCl)CCl
InChI
InChI=1S/C16H12Cl2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,9-10H2
InChIKey
UOSROERWQJTVNU-UHFFFAOYSA-N
Synonyms
9,10-Bis(chloromethyl)anthracene ANTHRACENE, 9,10-BIS(CHLOROMETHYL)- ICR-450 CCRIS 948 NSC 81650

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.12
Rotatable bonds
2
Molar refractivity
80.57
TPSA
0.0000

LogP / Solubility

WLOGP
5.47
MLOGP
4.82
XLogP3
5.7
Consensus LogP
5.33
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.51

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H413 (97.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501

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