CAS RN: 12007-60-2

Lithium Tetraborate

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250306 100g In stock Shanghai, Tianjin Inquiry
Batchno.20251030 1kg In stock Shanghai Inquiry
Batchno.20251104 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250429 500g In stock Shanghai Inquiry
  • Product code: ICTL0387
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12007-60-2 / dilithium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane

G5N01T5TYY | RefChem:917471 | 234-514-3

Standard CAS: 12007-60-2 Multi CAS: Yes

Basic Information

CAS
12007-60-2
Multi CAS
Yes
Molecular Formula
B4Li2O7
Molecular Weight
169.200000
Exact Mass
170.033630
SMILES
[Li+].[Li+].B1(OB2OB(OB(O1)O2)[O-])[O-]
InChI
InChI=1S/B4O7.2Li/c5-1-7-3-9-2(6)10-4(8-1)11-3;;/q-2;2*+1
InChIKey
XFOCQAMEVCAHGV-UHFFFAOYSA-N
Synonyms
G5N01T5TYY RefChem:917471 234-514-3 Boric acid (H2B407), dilithium salt Boron lithium oxide (B4Li2O7)

Physical Properties

Physical Description
Pentahydrate: White solid; [Merck Index] Hygroscopic solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
H-bond acceptors
7
Molar refractivity
28.44
TPSA
92.27

LogP / Solubility

WLOGP
-10.24
MLOGP
-9.01
XLogP3
-10.24
Consensus LogP
-9.83
Log S (ESOL)
5.56
Class (ESOL)
Highly soluble
Log S (Ali)
6.44
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.74
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-11.02

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
3.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H302 (36.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (41.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (41.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H360FD: May damage fertility; May damage the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P203, P280, P318, P405, and P501

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