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CAS 104-81-4 α-Bromo-p-xylene molecular structure lightbox
CAS RN: 104-81-4

α-Bromo-p-xylene

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250723 100g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20251220 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20251104 25g In stock Shanghai, Guangdong, Chongqing Inquiry
Batchno.20250921 500g Out of stock 5-7 business days Inquiry
Batchno.20260217 5g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-005752
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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: 1g, 5g, 10g, 25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 104-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 3 In Stock Hong Kong Inquiry
5g >98% 2 In Stock Beijing Inquiry
10g >98% 1 In Stock Beijing Inquiry
25g >98% 1 In Stock Shenzhen Inquiry
100g >98% 1 In Stock Shenzhen Inquiry

104-81-4 / 1-(bromomethyl)-4-methylbenzene

4-Methylbenzyl bromide | 1-(Bromomethyl)-4-methylbenzene | P-XYLYL BROMIDE

Standard CAS: 104-81-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
104-81-4
Multi CAS
Yes
Molecular Formula
C8H9Br
Molecular Weight
185.060000
Exact Mass
183.988760
SMILES
CC1=CC=C(C=C1)CBr
InChI
InChI=1S/C8H9Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3
InChIKey
WZRKSPFYXUXINF-UHFFFAOYSA-N
Synonyms
4-Methylbenzyl bromide 1-(Bromomethyl)-4-methylbenzene P-XYLYL BROMIDE alpha-Bromo-p-xylene Benzene, 1-(bromomethyl)-4-methyl-

Physical Properties

Melting Point
34 °C
Boiling Point
220 °C BP: 218-220 °C at 740 mm Hg; 120 °C at 15 mm Hg
Density
1.324 g/cu cm at 25 °C
Physical Description
Needles from alcohol; [Merck Index] White crystals, insoluble in water
Appearance
Needles from alcohol
State
Solid
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Recommended storage temperature: 2 - 8 °C

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
Molar refractivity
43.81
TPSA
0.0000

LogP / Solubility

WLOGP
2.89
MLOGP
2.54
XLogP3
3
Consensus LogP
2.81
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-1.8

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]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
DOT ID (UN/NA Number)
1701 3417

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