CAS 10035-06-0 Bismuth nitrate pentahydrate molecular structure

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CAS RN: 10035-06-0

Bismuth nitrate pentahydrate

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10035-06-0 / bismuth;trinitrate;pentahydrate

Bismuth nitrate pentahydrate | Bismuth(III) nitrate pentahydrate | Bismuth nitrate, hydrate (1:5)

Standard CAS: 10035-06-0 Multi CAS: Yes

Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS

10035-06-0

Multi CAS

Yes

Molecular Formula

BiH10N3O14

Molecular Weight

485.070000

Exact Mass

484.996680

SMILES

[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.[Bi+3]

InChI

InChI=1S/Bi.3NO3.5H2O/c;3*2-1(3)4;;;;;/h;;;;5*1H2/q+3;3*-1;;;;;

InChIKey

FBXVOTBTGXARNA-UHFFFAOYSA-N

Synonyms

Bismuth nitrate pentahydrate Bismuth(III) nitrate pentahydrate Bismuth nitrate, hydrate (1:5) Nitric acid, bismuth(3+) salt, hydrate (3:1:5) Granions de Bismuth

Physical Properties

Physical Description

Lustrous hygroscopic solid with an odor of nitric acid; [Merck Index] Hygroscopic solid; mp = 30 deg C

State

Solid

Computed Properties

Structural Parameters

Heavy atom count

H-bond acceptors

H-bond donors

Molar refractivity

54.91

TPSA

356.1

LogP / Solubility

WLOGP

-5.22

MLOGP

-4.56

XLogP3

-5.22

Consensus LogP

-5

Log S (ESOL)

0.44

Class (ESOL)

Highly soluble

Log S (Ali)

0.23

Class (Ali)

Highly soluble

Log S (SILICOS-IT)

1.52

Class (SILICOS-IT)

Highly soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-9.39

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Egan

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Oxidizer Irritant

Signal

Danger

GHS Hazard Statements

H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids] H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (96.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P210, P220, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501