Basic information
- CAS
132767-86-3- Standard SMILES
CC(CC(C)(C)C)CP(O)(=S)CC(C)CC(C)(C)C- InChIKey
KUYLHALFMPOMKK-UHFFFAOYSA-N- Molecular formula
- C16H35OPS
- Average molar mass
- 306.5 g/mol
Overview
structure in first source
Names & identifiers
- Preferred name
- Cyanex 302
- IUPAC
- hydroxy-sulfanylidene-bis(2,4,4-trimethylpentyl)-λ5-phosphane
- English name
- Diisooctylthiophosphinic acid
- Molecular formula
- C16H35OPS
- Molecular weight
- 306.49
Names & synonyms
132767-86-3Phosphinothioic acid, P,P-bis(2,4,4-trimethylpentyl)-DTXSID10888952Cyanex 302RefChem:861997bis(2,4,4-trimethylpentyl)monothiophosphinic acidDTXCID501028222Diisooctylthiophosphinic acidPhosphinothioic acid, bis(2,4,4-trimethylpentyl)-hydroxy-sulfanylidene-bis(2,4,4-trimethylpentyl)-lambda5-phosphaneBis(2,4,4-trimethylpentyl)phosphinothioic acidDiisooctylthiophosphinic Acid (technical grade)
Show more names
C 302C 302 (extractant)thiophosphinic acidDi-2-ethylhexyl thiophosphinic acidBis(2,4,4-trimethylpentyl)phosphinothioics-acidDiisooctylthiophosphinic acid technical, ~85% (T)
Bis(2,4,4-trimethylpentyl)phosphinothioic O-acidSCHEMBL665109SCHEMBL4075214KUYLHALFMPOMKK-UHFFFAOYSA-NFB183698Bis(2,4,4-trimethylpentyl)phosphinothioic S-acidbis(2,4,4-trimethylpentyl) monothiophosphinic acidDiisooctylthiophosphinic acid, technical, ~85% (T)
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 361 · 361.0±25.0 °C(Predicted)
- Density
- 0.93 g/mL · 0.93 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.48
- Flash point
- 96 °C · 96 °C
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly, Sonicated)
- form
- Oil
- pka
- 4.45 · 4.45±0.10(Predicted)
- color
- Pale Yellow to Pale Green
- InChI
- 1S/C16H35OPS/c1-13(9-15(3,4)5)11-18(17,19)12-14(2)10-16(6,7)8/h13-14H,9-12H2,1-8H3,(H,17,19)
- InChIKey
- KUYLHALFMPOMKK-UHFFFAOYSA-N
- SMILES
- CC(CC(C)(C)C)CP(S)(=O)CC(C)CC(C)(C)C
- EPA Substance Registry System
- Phosphinothioic acid, bis(2,4,4-trimethylpentyl)- (132767-86-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
Safety & regulation
GHS classification
GHS Classification
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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Phosphinothioic acid, bis(2,4,4-trimethylpentyl)- (EC: 420-400-2)
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- REACH Registrations
- Inactive
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphinothioic acid, P,P-bis(2,4,4-trimethylpentyl)-: INACTIVE
Applications
UsesDiisooctylthiophosphinic Acid is a cyanex 302 metal complex with antibacterial and antifungal activities.
General DescriptionDiisooctylthiophosphinic acid is an application specific reagent.
Upstream & downstream products
Downstream products
Suppliers28 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
陕西纬宇新材料有限公司13772052144 13772052144 · [email protected]
广东谦进化学试剂有限公司0751-2818792 13435114148 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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