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CAS 19692-45-6 4-tert-Butylbenzyl Chloride molecular structure lightbox
CAS RN: 19692-45-6

4-tert-Butylbenzyl Chloride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 100g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20260125 25g In stock Shanghai, Shandong Inquiry
Batchno.20260623 500g In stock Shandong Inquiry
Batchno.20260503 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-092913
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 19692-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 5 In Stock Hong Kong Inquiry
100g ≥95% 5 In Stock Hong Kong Inquiry
500g ≥95% 2 In Stock Beijing Inquiry

19692-45-6 / 1-tert-butyl-4-(chloromethyl)benzene

Standard CAS: 19692-45-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19692-45-6
Multi CAS
No
Molecular Formula
C11H15Cl
Molecular Weight
182.690000
Exact Mass
182.086228
SMILES
CC(C)(C)C1=CC=C(C=C1)CCl
InChI
InChI=1S/C11H15Cl/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3
InChIKey
WAXIFMGAKWIFDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
Molar refractivity
54.7
TPSA
0.0000

LogP / Solubility

WLOGP
3.72
MLOGP
3.27
XLogP3
4
Consensus LogP
3.66
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-1.19

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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H319 (84.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501

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