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CAS 631-64-1 DIBROMOACETIC ACID molecular structure lightbox
CAS RN: 631-64-1

DIBROMOACETIC ACID

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260501 1g Out of stock Inquiry
Batchno.20250912 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 1g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20260530 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-172648
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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: 1g
  • Available purity: ≥95%
  • 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 631-64-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

631-64-1 / 2,2-dibromoacetic acid

Standard CAS: 631-64-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
631-64-1
Multi CAS
No
Molecular Formula
C2H2BR2O2
Molecular Weight
217.840000
Exact Mass
217.840110
InChI
InChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey
SIEILFNCEFEENQ-UHFFFAOYSA-N

Physical Properties

Melting Point
48 °C
Boiling Point
232-234 °C (decomposition) BP: 195 °C at 250 mm Hg; 130 °C at 16 mm Hg
Physical Description
Hygroscopic solid; [HSDB] White deliquescent solid; [IARC] Beige hygroscopic crystals
Appearance
Hygroscopic crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.28
TPSA
37.3

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
1.5
Consensus LogP
1.25
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-3.21

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

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