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16962-40-6

Basic Information
CAS No.: 16962-40-6
Name: TITANIUM
Molecular Structure:
Molecular Structure of 16962-40-6 (TITANIUM)
Formula: (NH4)2.TiF6
Molecular Weight: 193.96
Synonyms: Ammoniumfluotitanate(IV) (6CI);Ammonium hexafluorotitanate(IV) (7CI);Titanate(2-),hexafluoro-, diammonium (8CI);Titanate(2-), hexafluoro-, diammonium,(OC-6-11)- (9CI);Ammonium hexafluorotitanate(NH4)2TiF6;Ammonium titanium fluoride ((NH4)2TiF6);DC 2104;DC 2104(titanate);Diammonium hexafluorotitanate;Diammonium hexafluorotitanate(2-);Diammonium titanium hexafluoride;Diammonium titanium hexafluoride ((NH4)2TiF6);
EINECS: 241-036-9
Density: 4.5g/mLat 25°C(lit.)
Melting Point: 1660 °C(lit.)
Boiling Point: 3287°C(lit.)
Solubility: Insoluble in water.
Appearance: white crystalline powder, crystals and/or chunks
Hazard Symbols: FlammableF, HarmfulXn, IrritantXi
Risk Codes: 17-36/38-20/21/22-36/37/38
Safety: 16-36/37-36-26-24/25
Transport Information: UN 2878 4.1/PG 3
PSA: 0.00000
LogP: 3.27360
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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 2.5 mg(F)/m3
ACGIH TLV: TWA 2.5 mg(F)/m3; BEI: 3 mg/g creatinine of fluorides in urine prior to shift; 10 mg/g creatinine of fluorides in urine at end of shift.
NIOSH REL: (Fluorides, Inorganic) TWA 2.5 mg(F)/m3

Specification

The Ammonium hexafluorotitanate, with the CAS registry number 16962-40-6, is also known as Ammonium fluotitanate. Its molecular formula is (NH4)2.TiF6 and its molecular weight is 197.93. Moreover, this chemical be sealed in a cool and dry place. Keep it away from the acid, oxides and moisture. 

Other characteristics of the Ammonium hexafluorotitanate can be summarised as followings: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 7; (3)Rotatable Bond Count: 0; (4)Exact Mass: 198.007115; (5)MonoIsotopic Mass: 198.007115; (6)Topological Polar Surface Area: 2; (7)Heavy Atom Count: 9; (8)Formal Charge: 0; (9)Complexity: 62.7; (10)Isotope Atom Count: 0; (11)Covalently-Bonded Unit Count: 3.

Uses of Ammonium hexafluorotitanate:  It's used as an anti-corrosive cleaning agents and used for the production of ceramics and glass or the manufacture of synthetic gems.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.

You can still convert the following datas into molecular structure: 
1.InChI: InChI=1/6FH.2H3N.Ti/h6*1H;2*1H3;/q;;;;;;;;+4/p-4
2.Smiles: [NH4+].[Ti+4].[FH-].[FH-].[FH-].[FH-].[FH-].[FH-].[NH4+]

The toxicity data is as follows: 
 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00134,