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CAS 110-52-1 1,4-Dibromobutane molecular structure lightbox
CAS RN: 110-52-1

1,4-Dibromobutane

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250422 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250731 25g In stock Shanghai Inquiry
Batchno.20250108 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-011255
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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: 25g, 100g, 500g, 1000g
  • 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 110-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry
1000g ≥98% 0 Out of Stock Beijing Inquiry

110-52-1 / 1,4-dibromobutane

1,4-DIBROMOBUTANE | Tetramethylene dibromide | Butane, 1,4-dibromo-

Standard CAS: 110-52-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
110-52-1
Multi CAS
Yes
Molecular Formula
C4H8Br2
Molecular Weight
215.910000
Exact Mass
215.897230
SMILES
C(CCBr)CBr
InChI
InChI=1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2
InChIKey
ULTHEAFYOOPTTB-UHFFFAOYSA-N
Synonyms
1,4-DIBROMOBUTANE Tetramethylene dibromide Butane, 1,4-dibromo- Tetramethylenebromide G49PHR6JFU

Physical Properties

Physical Description
Colorless or pale yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
36.82
TPSA
0.0000

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
2.5
Consensus LogP
2.44
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-2.22

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 Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (76.8%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (89.9%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (78.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (13%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (84.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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