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CAS 104-82-5 α-Chloro-p-xylene molecular structure lightbox
CAS RN: 104-82-5

α-Chloro-p-xylene

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6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260409 100g In stock Inquiry
Batchno.20250723 2.5kg In stock Inquiry
Batchno.20251206 25g In stock Inquiry
Batchno.20250307 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250817 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251120 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong Inquiry
  • Product code: SSC-005753
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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: >98%
  • Inventory rows with stock: 2
  • 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 104-82-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 3 In Stock Beijing Inquiry
500g >98% 0 Out of Stock Shanghai Inquiry

104-82-5 / 1-(chloromethyl)-4-methylbenzene

4-Methylbenzyl chloride | 1-(Chloromethyl)-4-methylbenzene | p-Xylyl chloride

Standard CAS: 104-82-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
104-82-5
Multi CAS
No
Molecular Formula
C8H9Cl
Molecular Weight
140.610000
Exact Mass
140.039278
SMILES
CC1=CC=C(C=C1)CCl
InChI
InChI=1S/C8H9Cl/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3
InChIKey
DMHZDOTYAVHSEH-UHFFFAOYSA-N
Synonyms
4-Methylbenzyl chloride 1-(Chloromethyl)-4-methylbenzene p-Xylyl chloride ALPHA-CHLORO-P-XYLENE p-Methylbenzyl chloride

Physical Properties

Boiling Point
200-202 °C
Density
1.0512 @ 20 °C/4 °C
Physical Description
Fuming liquid; characteristic odor; [Merck Index]
Appearance
LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
Molar refractivity
40.74
TPSA
0.0000

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
2.9
Consensus LogP
2.68
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately 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)
-1.64

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 Warning
GHS Hazard Statements
H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (98.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H227: Combustible liquid [Warning Flammable liquids]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 P210, P280, P370+P378, P403, and P501

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