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14100-64-2 structure

CAS No.:14100-64-2
Molecular Weight:135.9432
Molecular Formula:C20H18O3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/Ca.6O.2V/q+2;;;;;;;2*-1/rCa.2O3V/c;2*1-4(2)3/q+2;2*-1
Canonical Smiles
[O-][Ti](=O)[O-].[Ca+2]
Properties
Appearance
beads
Boiling Point
354.7°C at 760 mmHg
Solubility
910 g/L (20 ºC)
Stability
Stable. Incompatible with bromine trifluoride, strong acids. Hygroscopic - protect from moisture.
Storage temp
Store at R.T.
Safety and Handling
Safety Statements
RIDADR 3288HazardClass 6.1(b)PackingGroup III
HazardClass
6.1(b)
Safety

Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. Mutation data reported. Reacts violently with BrF3. When heated to decomposition it emits toxic fumes of Cl, RbCl, and Rb2O. See also RUBIDIUM and CHLORIDES.
 

Safety Statements:
22:  Do not breathe dust
24:  Avoid contact with skin
25:  Avoid contact with eyes

Toxicity
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1149mg/kg (1149mg/kg)   Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 256, Pg. 1043, 1963.
mouse LD50 intravenous 233mg/kg (233mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 56(4), Pg. 118S, 1960.
mouse LD50 oral 3800mg/kg (3800mg/kg)   "Novye Dannye Po Toksikologii Redkikh Metalov Ikh Soedinenii," New Data on the Toxicology of Rare Metals and Their Compounds, Izrael'son, Z.I., ed., Moscow, Izdatel'stvo "Meditsina," 196Vol. -, Pg. 56, 1967.
rabbit LDLo intravenous 100mg/kg (100mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 56(4), Pg. 118S, 1960.
rat LD50 intraperitoneal 1700mg/kg (1700mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(9), Pg. 55, 1987.
rat LD50 oral 4440mg/kg (4440mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 53(5), Pg. 76, 1988.
PackingGroup
III
Sensitive
Hygroscopic
Transport
3288
Specification

 Rubidium chloride (7791-11-9) also can be called Chlorure de rubidium and Rubidium monochloride .Depending on conditions, solid RbCl exists in one of three arrangements or polymorphs as determined with holographic imaging.
It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: should  flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing.Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.Then get medical aid soon.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen.Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.
In addition, Rubidium chloride (7791-11-9) is not compatible with acids, and you must not take it with incompatible materials and not be exposured to moist air or water.And also prevent it to broken down into hazardous decomposition products: hydrogen chloride.

Report

Reported in EPA TSCA Inventory.

Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 14100-64-2 EC: ·ECHA C&L Inventory for CAS: CAS: 14100-64-2 EC:
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

H332 Harmful if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/…if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:135.9432g/mol
  • Molecular Formula:C20H18O3
  • Exact Mass:135.895282
  • Monoisotopic Mass:135.895282
  • Complexity:18.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.2
  • Heavy Atom Count:5
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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