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Phosphorus triiodide

HCID 83485
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Basic information

CAS
13455-01-1
Standard SMILES
IP(I)I
InChIKey
PZHNNJXWQYFUTD-UHFFFAOYSA-N
Molecular formula
I3P
Average molar mass
411.6872 g/mol
Monoisotopic mass
411.6872

Names & identifiers

Preferred name
Phosphorus triiodide
IUPAC
triiodophosphane
English name
Phosphorus triiodide
Molecular formula
I3P
Molecular weight
411.69

Names & synonyms

Phosphorus triiodidePhosphorous triiodidePhosphorus(III) iodideTriiodophosphinePhosphorus iodide (PI3)82QUK78Y7YEINECS 236-647-2DTXSID1065475RefChem:173924DTXCID4034231236-647-213455-01-1
Show more names
AURORA KA-1079riiodophosphanePHOSPHORUS IODIDEPhosphorous iodidephosphoroustriiodidePhosphorous-triiodide-Phosphorus triiodide 99%
triiodophosphaneMFCD00011442PhosphortrijodidPhosphorus triiodide, 99%UNII-82QUK78Y7YSCHEMBL124771F866219Q418115

Database identifiers

CAS
13455-01-1
PubChem CID
83485
DTXSID
DTXSID1065475
UNII
82QUK78Y7Y
EC Number
236-647-2
Nikkaji
J96.078K

Properties

Computed structural properties

XLogP
2.5
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

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point
61 °C · 61 °C (lit.)
Boiling point
227 ℃ · decomposes at 227℃ [CRC10]
Density
4.18 g/mL · 4.18 g/mL at 25 °C (lit.)
solubility
2 O; · reacts with H2O; soluble in ethanol
form
Crystals or Granules
color
Dark brown to black-gray
Water Solubility
2 O; · decomposed by H2O; soluble alcohol, CS2 [HAW93]
Specific Heat Capacity
0.19 J/ · Cp(gas): 0.19 J/(g·K), at 25℃
InChI
1S/I3P/c1-4(2)3
InChIKey
PZHNNJXWQYFUTD-UHFFFAOYSA-N
SMILES
IP(I)I
FDA UNII
82 QUK78Y7Y · 82QUK78Y7Y

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, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPhosphorus triiodide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F
3-10
PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
ridadr
UN 3260 8/PG 2
risk_code
14-34-37
Signal word
Danger
Symbol(GHS)
GHS05,GHS07
hazard_code
C
safety_code
26-36/37/39-45
hazard_class
4.1
Storage Class
8A - Combustible corrosive hazardous materials
packing_group

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhosphorous triiodide: ACTIVE

Applications

UsesPhosphorus Triiodide is used in the structure-property-reactivity studies of dithiaphospholes.

General DescriptionPhosphorus triiodide (PI3) is a trihalide of phosphorus that can be used as a deactivator and a deoxygenating agent.

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Related reactions

3 records
New reaction record
HRID 455683 reaction equation
HRID 455683As reactantuspto-grants-2013_07
HRID 1145304 reaction equation
HRID 1145304As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1472426 reaction equation
HRID 1472426As reactantuspto-grants-2015_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
EPA Substance Registry System
Phosphorous triiodide (13455-01-1)
UNSPSC Code
12352302 · 12352302
NACRES
23 · NA.23
Symbol(GHS)
5 · GHS05,GHS07
Signal word
Danger
Hazard statements
314 · H314-H335
Precautionary statements
260 · P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs
Respiratory system
PPE
3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes
C
Risk Statements
14 · 14-34-37
Safety Statements
26 · 26-36/37/39-45
RIDADR
3260 · UN 3260 8/PG 2
WGK Germany
3 · 3
F
3 · 3-10
TSCA
TSCA listed
HazardClass
4.1 · 4.1
PackingGroup
II
Storage Class
8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications
1 BSTOT · Skin Corr. 1BSTOT SE 3
II
target organs
Respiratory system
Hazard statements
H314-H335
Hazard Classifications
Skin Corr. 1BSTOT SE 3
Precautionary statements
P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338