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O,O'-Diisobutyl dithiophosphate

HCID 75261
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
2253-52-3
Standard SMILES
CC(C)COP(=S)(S)OCC(C)C
InChIKey
SYFIMIPHNTZHIN-UHFFFAOYSA-N
Molecular formula
C8H19O2PS2
Average molar mass
242.3 g/mol
Monoisotopic mass
242.05640919

Names & identifiers

Preferred name
O,O'-Diisobutyl dithiophosphate
IUPAC
bis(2-methylpropoxy)-sulfanyl-sulfanylidene-λ5-phosphane
English name
O,O-diisobutyl hydrogen dithiophosphate
Molecular formula
C8H20O2PS2
Molecular weight
243.346961

Names & synonyms

2253-52-3O,O-Diisobutyl hydrogen dithiophosphateDQW9Y1M7TTDiisobutyl phosphorodithioatePhosphorodithioic acid, O,O-bis(2-methylpropyl) esterO,O'-diisobutyl dithiophosphateO,O-Bis(2-methylpropyl) phosphorodithioateEINECS 218-849-2DTXSID70860870EC 218-849-2RefChem:855007DTXCID50196785
Show more names
O,O-Diisobutylphosphorodithioic acid
UNII-DQW9Y1M7TTdiisobutyldithiophosphoric acidSCHEMBL1691784Di-(2-Methylpropyl) Phosphorodithioic AcidO,O-Di-isobutyl hydrogen phosphorodithioateNS00003703O,O-Bis(2-methylpropyl) hydrogen phosphorodithioateQ27276546

Database identifiers

CAS
2253-52-3
PubChem CID
75261
DTXSID
DTXSID70860870
UNII
DQW9Y1M7TT
EC Number
218-849-2
Nikkaji
J57.796K

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
51.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
13
Formal charge
0
Complexity
167

Physicochemical properties

FDA UNII
9 Y1M7TT · DQW9Y1M7TT
EPA Substance Registry System
Phosphorodithioic acid, O,O-bis(2-methylpropyl) ester (2253-52-3)
Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
412 · H412-H290-H314
Precautionary statements
273 · P273-P501-P234-P390-P404-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
TSCA
TSCA listed
REACH Registrations
Active

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 · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Danger

H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

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

Hazard information

Regulatory Information · 2 items

Chemical: Phosphorodithioic acid, O,O-bis(2-methylpropyl) ester

REACH registered substance: O,O-diisobutyl hydrogen dithiophosphate (EC: 218-849-2)

Hazard Classes and CategoriesMet. Corr. 1 (50%)

Safety data

tsca
TSCA listed
Signal word
Danger
Symbol(GHS)
GHS05
Hazard statements
H412-H290-H314
REACH Registrations
Active
Precautionary statements
P273-P501-P234-P390-P404-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhosphorodithioic acid, O,O-bis(2-methylpropyl) ester: ACTIVE

Suppliers3 total

陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

1 records
New reaction record
HRID 1755604 reaction equation
HRID 1755604As productuspto-grants-1995_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes