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Calcium boride 95%

CAT: 0286-C01000-02Size: 250 gDry Ice: NoHazardous: No
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CAT#:0286-C01000-02Size:250 g
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CAS Number
12007-99-7
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00148904
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Calcium boride (CaB6), (OC-6-11)-

See also: Calcium hexaboride (annotation moved to).

CAS Number12007-99-7
PubChem CID16212529
IUPAC Namecalcium 2,3,5,6-tetrabora-1,4-diboranuidapentacyclo[3.1.0.01,3.02,4.04,6]hexane
Molecular FormulaB6Ca
Molecular Weight105.0
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity132
SMILES
B12B3[B-]14B5[B-]23B45.[Ca+2]
InChI
InChI=1S/B6.Ca/c1-2-5(1)3-4(5)6(1,2)3;/q-2;+2
InChIKey
AWVIDOFQNLOVRC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Calcium boride (CaB6), (OC-6-11)-
CAS: 12007-99-7
CID: 16212529
Formula: B6Ca
MW: 105.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight105.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass105.0220535
Monoisotopic Mass106.0184218
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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