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CAS 10022-70-5 Sodium Hypochlorite Pentahydrate molecular structure lightbox
CAS RN: 10022-70-5

Sodium Hypochlorite Pentahydrate

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  • Product code: ICTS0939
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10022-70-5 / sodium;hypochlorite;pentahydrate

Sodium hypochlorite pentahydrate | DTXSID4064898 | RefChem:183939

Standard CAS: 10022-70-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10022-70-5
Multi CAS
Yes
Molecular Formula
ClH10NaO6
Molecular Weight
164.520000
Exact Mass
164.006360
SMILES
O.O.O.O.O.[O-]Cl.[Na+]
InChI
InChI=1S/ClO.Na.5H2O/c1-2;;;;;;/h;;5*1H2/q-1;+1;;;;;
InChIKey
FHKLOBNGYGFRSF-UHFFFAOYSA-N
Synonyms
Sodium hypochlorite pentahydrate DTXSID4064898 RefChem:183939 DTXCID1032486 sodium;hypochlorite;pentahydrate

Computed Properties

Structural Parameters

Heavy atom count
8
H-bond acceptors
1
H-bond donors
5
Molar refractivity
23.92
TPSA
180.56

LogP / Solubility

WLOGP
-7.62
MLOGP
-6.71
XLogP3
-7.62
Consensus LogP
-7.32
Log S (ESOL)
3.94
Class (ESOL)
Highly soluble
Log S (Ali)
4.59
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.59
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)
-9.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Oxidizer Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids] H290 (100%): May be corrosive to metals [Warning Corrosive to Metals] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P220, P234, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P390, P391, P405, P406, and P501

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