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12047-27-7

Basic Information
CAS No.: 12047-27-7
Name: Barium titanium trioxide
Molecular Structure:
Molecular Structure of 12047-27-7 (Barium titanium trioxide)
Formula: BaTiO3
Molecular Weight: 233.192
Synonyms: Bariumtitanate(IV) (BaTiO3) (7CI);5622ON01;BT 01;BT 02;BT 03;BT 04;BT 04A;BT05;BT 05 (filler);BT 07;BT 10;BT 10 (titanate);BT 100M;BT 100P;BT 100PR;BT 100T;BT 16;BT 201;BT 203;BT 204;BT 206;BT 303;BT 325(titanate);BT 335;BT 5100;BT 8;BT 8 (oxide);BT-HD 9DX;BT-HP 100;BT-HP8KB2;BT-HP 8YF;BT-HP 9DX;BT-SA;BTO 30;BTZ 09;Barium metatitanate;Bariummetatitanate (BaTiO3);Barium titanate (BaTiO3);Bariumtitanium oxide;Barium titanium trioxide;CFPI;HBT 3;HPB(titanate);HPB 1000;
EINECS: 234-975-0
Density: 6.02 g/cm3
Melting Point: 1625 °C
Solubility: Insoluble in water
Appearance: off-white powder
Hazard Symbols: HarmfulXn
Risk Codes: 20/22
Safety: 28
PSA: 63.19000
LogP: -0.35640
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Specification

The Barium titanate, with the CAS registry number 12047-27-7 and EINECS registry number 234-975-0, has the systematic name of barium dioxido(oxo)titanium. And the molecular formula of this chemical is BaTiO3. It is a white powder and transparent as larger crystals. This titanate is a ferroelectric ceramic material, with a photorefractive effect and piezoelectric properties.

The physical properties of Barium titanate are as following: (1)#H bond acceptors: 3; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 57.53 Å2.

Preparation of Barium titanate: Mix titanium tetrachloride solution and barium chloride solution in the temperature of 70-100 °C. And the ratio of TiCl4, BaC12 and H2C2O4.2H2O are 1:1:2, the result is BaTiO(C2O4)2 precipitation. After a series of filtration, wash, dry, calcine the precipitation in 700-1000°C, and you can get the desired product.
BaCl2+TiCl4+2H2C2O4+5H2O→BaTiO(C2O4).4H2O↓+6HCl
BaTiO(C2O4)2.4H2O→BaTiO3+4H2O+2CO2↑+2CO↑

Uses of Barium titanate: It is a dielectric ceramic used for capacitors. It is a piezoelectric material for microphones and other transducers. And it is used in nonlinear optics. What's more, The pyroelectric and ferroelectric properties of barium titanate are used in some types of uncooled sensors for thermal cameras.

You should be cautious while dealing with this chemical. It is harmful by inhalation and if swallowed. Therefore, you had better take the instruction: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: [Ba+2].[O-][Ti]([O-])=O
(2)InChI: InChI=1/Ba.3O.Ti/q+2;;2*-1;/rBa.O3Ti/c;1-4(2)3/q+2;-2
(3)InChIKey: WNKMTAQXMLAYHX-AYKXXLCYAM

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 3gm/kg (3000mg/kg) GASTROINTESTINAL: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

BLOOD: HEMORRHAGE
Industrial Medicine and Surgery. Vol. 31, Pg. 302, 1962.
rat LD50 oral > 12gm/kg (12000mg/kg)   Industrial Medicine and Surgery. Vol. 31, Pg. 302, 1962.