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Borane, triiodo-

HCID 83546
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
13517-10-7
Standard SMILES
IB(I)I
InChIKey
YMEKEHSRPZAOGO-UHFFFAOYSA-N
Molecular formula
BI3
Average molar mass
391.53 g/mol
Monoisotopic mass
391.7227

Names & identifiers

Preferred name
Borane, triiodo-
IUPAC
triiodoborane
English name
Boron triiodide
Molecular formula
BI3
Molecular weight
391.52

Names & synonyms

Boron triiodide13517-10-7Borane, triiodo-EINECS 236-857-4DTXSID0065519Borane, triiodoRefChem:569834DTXCID0034304236-857-4TriiodoboraneBoron iodideBI3
Show more names
BITriiodoborontriiodo-boranBorane,triiodo-U in HNO3 2.5%
MFCD00036286BorontriiodideBoron triiodide, 95%SCHEMBL147177AKOS015910519AT18325AS-92353F866146

Database identifiers

CAS
13517-10-7
PubChem CID
83546
DTXSID
DTXSID0065519
EC Number
236-857-4
Nikkaji
J95.098J

Properties

Computed structural properties

Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
4
Formal charge
0
Complexity
8

Experimental & physicochemical properties

Chemical ClassesMetals -> Metalloid Compounds (Boron)
Physical DescriptionPink crystals that react with water; [MSDSonline]

Physicochemical properties

Melting point
43 · 43-44°C
Boiling point
210 °C · 210°C
Density
3.35 g/mL · 3.35 g/mL at 25 °C (lit.)
Flash point
210 °C · 210°C
storage temp.
2 · 2-8°C
solubility
2 O · insoluble in H2O
form
Crystals
Specific Gravity
3.35 · 3.35
color
White
Water Solubility
Reacts with water.
Specific Heat Capacity
0.18 J/ · Cp(gas): 0.18 J/(g·K), at 25℃
Sensitive
Moisture Sensitive

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationBoron triiodide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCorrosive substance; Causes burns; Harmful if swallowed; [MSDSonline] See Iodine for the TLV of Iodides.
Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety & protection

Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor (iodides)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F
10
PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBorane, triiodo-: ACTIVE
Applications · 3 items

UsesBoron triiodide is used as pharmaceutical, chemical and organic intermediate. It is also used as a catalyst and for preparation of boron compounds.

UsesBoron triiodide can be used as a reagent to cleave C-O bonds in ethers, esters, and alcohols. It can also be used to cleave silanes and halides. Boron triiodide converts alcohols to alkyl iodides; sulfonyl and sulfinyl to disulfides. Borylation of triarylamines can be achievd using this reagent.It can also be used to prepare imidazole based imino aluminum dihalide metal complexes and boron carbonitride (BCN) nanowires.

General DescriptionBoron triiodide is a strong Lewis acid. It can be prepared by treating iodine (I2) with potassium borohydride (KBH4) in heptane.

Preparation methods

PreparationBoron triiodide can be synthesized by refluxing lithium borohydride and iodine in hexane, or by reacting alkali metal borohydride with iodine at a suitable temperature.

Upstream & downstream products

Upstream raw materials

Sodium borohydrideBoron trifluorideHydriodic acidBoron tribromideIodineALUMINUM IODIDEBismuth

Suppliers

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Related reactions

9 records
New reaction record
HRID 267870 reaction equation
HRID 267870As reactantuspto-grants-1976_03
HRID 267887 reaction equation
HRID 267887As reactantuspto-grants-1976_03
HRID 267888 reaction equation
HRID 267888As reactantuspto-grants-1976_03
HRID 820076 reaction equation
HRID 820076As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 824498 reaction equation
HRID 824498As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 972657 reaction equation
HRID 972657As reactantuspto-grants-1977_10
HRID 972658 reaction equation
HRID 972658As reactantuspto-grants-1977_10
HRID 1871840 reaction equation
HRID 1871840As reactantuspto-grants-2000_08
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
InChI
InChI=1S/BI3/c2-1(3)4
InChIKey
YMEKEHSRPZAOGO-UHFFFAOYSA-N
SMILES
B(I)(I)I
CAS DataBase Reference
13517 · 13517-10-7(CAS DataBase Reference)
EPA Substance Registry System
Borane, triiodo- (13517-10-7)
UNSPSC Code
12352101 · 12352101
NACRES
22 · NA.22
Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
314 · H314
Precautionary statements
280 · P280-P305+P351+P338-P310
PPE
3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes
C
Risk Statements
34 · 34
Safety Statements
26 · 26-36/37/39-43-45
RIDADR
3260 · UN 3260 8/PG 2
WGK Germany
3 · 3
F
10 · 10
TSCA
TSCA listed
HazardClass
8 · 8
PackingGroup
II
Storage Class
8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications
1 B · Skin Corr. 1B
tsca
TSCA listed
ridadr
UN 3260 8/PG 2
risk_code
34
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
C
safety_code
26-36/37/39-43-45
hazard_class
8
Storage Class
8A - Combustible corrosive hazardous materials
packing_group
II
Hazard statements
H314
Hazard Classifications
Skin Corr. 1B
Precautionary statements
P280-P305+P351+P338-P310
Sodium iodide

Downstream products

IodineN,N-Diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline