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CAS 1201-90-7 Ethyl 4-(Chloromethyl)benzoate molecular structure lightbox
CAS RN: 1201-90-7

Ethyl 4-(Chloromethyl)benzoate

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260415 1g In stock Inquiry
Batchno.20250928 25g In stock Inquiry
Batchno.20251022 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250117 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-020879
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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: ≥98%
  • 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 1201-90-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry

1201-90-7 / ethyl 4-(chloromethyl)benzoate

Ethyl 4-(Chloromethyl)benzoate | DTXSID60298608 | RefChem:595249

Standard CAS: 1201-90-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1201-90-7
Multi CAS
Yes
Molecular Formula
C10H11ClO2
Molecular Weight
198.640000
Exact Mass
198.044757
SMILES
CCOC(=O)C1=CC=C(C=C1)CCl
InChI
InChI=1S/C10H11ClO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7H2,1H3
InChIKey
JTTXRFNOFFGPFI-UHFFFAOYSA-N
Synonyms
Ethyl 4-(Chloromethyl)benzoate DTXSID60298608 RefChem:595249 DTXCID50249745 680-045-6

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
51.96
TPSA
26.3

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
3
Consensus LogP
2.63
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.08

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
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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