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Synthesis reagents

PyBOP

Also known as (Benzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate, ((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V), Benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate

CAS 128625-52-5Formula C18H28F6N6OP2Molar mass 520.40 g/molEC 603-290-2
GHS signal word: Warning. Pictograms: Harmful or irritant, Hazardous to the environment 13 suppliers listed
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PyBOP chemical structure, C18H28F6N6OP2, CAS 128625-52-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
128625-52-5
Formula
C18H28F6N6OP2
Molar mass
520.40 g/mol
EC number
603-290-2
HS code
293399
Category
Synthesis reagents

What is PyBOP?

Plain description, key identifiers and synonyms

PyBOP is a chemical substance with the molecular formula C18H28F6N6OP2 and a molar mass of 520.40 g/mol. Its CAS registry number is 128625-52-5. The IUPAC name is benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium hexafluorophosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
CAS number
128625-52-5 CAS number cross-checkedOther or deprecated CAS: 132701-58-7
EC number
603-290-2
Molecular formula
C18H28F6N6OP2
UNII
Y6KQR4GY6T
MDL number
MFCD00077411
InChIKey
VIAFLMPQBHAMLI-UHFFFAOYSA-N
InChI
InChI=1S/C18H28N6OP.F6P/c1-2-10-18-17(9-1)19-20-24(18)25-26(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23;1-7(2,3,4,5)6/h1-2,9-10H,3-8,11-16H2;/q+1;-1
SMILES (canonical and isomeric)
C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F

Synonyms

  • (Benzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate
  • ((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)
  • Benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate
  • bopp
  • 1H-Benzotriazol-1-yloxytripyrrolidinophosphonium Hexafluorophosphate
  • Benzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate
  • benzotriazol-1-yl-oxytripyrrolidinphosphonium hexafluorophosphate
  • 1-Benzotriazolyloxytripyrrolidinylphosphonium hexafluorophosphate
  • Benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate
  • (Benzotriazol-1-yloxy)tripyrrolidinophosphonium (hexafluorophosphate)
  • benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium, hexafluorophosphate
  • Benzotriazol-1-yl-oxytripyrrolidino-phosphonium hexafluorophosphate
  • Benzotriazole-1-yl-
  • benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphonium hexafluorophosphate
  • Benzotriazol-1-yloxytris(pyrrolidino)phosphonium hexafluorophosphate
  • Pyrrolidine, phosphorus complex
  • doi:10.14272/VIAFLMPQBHAMLI-UHFFFAOYSA-N.1
  • 1H-Benzotriazole, 1-hydroxy-, phosphorus complex
  • Benzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphat
  • (Benzotriazol-1-yl-oxy)tripyrrolidinophosphonium hexafluorophosphate
  • (Benzotriazol-1-yl-oxy)tripyrrolidinylphosphonium hexafluorophosphate
  • (benzotriazol-1-yloxy)-tripyrrolidinophosphonium hexafluorophosphate
  • (benzotriazol-1-yloxy)tripyrrolidino-phosphonium hexafluorophosphate
  • 1-benzotriazolyloxy-tris(pyrrolidino)phosphonium hexafluorophosphate
  • 1H-benzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate
Show all 37 synonyms
  • 1H-benzotriazol-1-yloxy tripyrrolidinophosphonium hexafluorophosphate
  • 1H-Benzotriazol-1-yloxytri-pyrrolidinophosphonium hexafluorophosphate
  • benzotriazol 1-yl-oxytri-pyrrolidinophosphonium hexafluorophosphate
  • benzotriazol-1-yl-oxy-tripyrrolidinophosphonium hexafluorophosphate
  • benzotriazol-1-yl-oxy-trispyrrolidino-phosphonium hexafluorophosphate
  • benzotriazol-1-yl-oxy-trispyrrolidinophosphonium hexafluorophosphate
  • benzotriazol-1-yl-oxytri-pyrrolidino phosphonium hexafluorophosphate
  • benzotriazol-1-yl-oxytri-pyrrolidinophos-phonium hexafluorophosphate
  • benzotriazol-1-yl-oxytri-pyrrolidinophosphonium hexafluorophosphate
  • benzotriazol-1-yl-oxytri-pyrrolidinophosphoniumhexafluorophosphate
  • benzotriazol-1-yloxy tripyrrolidinophosphonium hexafluorophosphate
  • benzotriazol-1-yloxy-tripyrrolidino-phosphonium hexafluorophosphate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
520.40 g/molcalc.
Exact mass
520.1704 Dacalc.
LogP (octanol/water)
6.21calc.
Topological polar surface area
49.66 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
33calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

5 rings, 26 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H317May cause an allergic skin reaction.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (23)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

PyBOP suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 13 suppliers
13 of 13 offers
  • Jiangsu Zenji Pharmaceuticals Ltd.
    China, Huaian ManufacturerUnclaimed profile
    PyBOPGrade, purity and minimum order on request
    Price on request
    View
  • Chemstock
    United Arab Emirates, Dubai ManufacturerUnclaimed profile
    PyBOPGrade, purity and minimum order on request
    Price on request
    View
  • biochemsafebuy.com
    Unclaimed profile
    PyBOPGrade, purity and minimum order on request
    Price on request
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  • hychemm.com
    China ManufacturerUnclaimed profile
    PyBOPGrade, purity and minimum order on request
    Price on request
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  • TRC Finechems
    India, Nashik ManufacturerUnclaimed profile
    PyBOPGrade, purity and minimum order on request
    Price on request
    View
  • Jiangsu Realpharma Technology Co., Ltd
    ChinaUnclaimed profile
    PyBOPGrade, purity and minimum order on request
    Price on request
    View
  • Acros Pharmatech
    Unclaimed profile
    PyBOPGrade, purity and minimum order on request
    Price on request
    View
  • rosen-chemicals.com
    Unclaimed profile
    PyBOPGrade, purity and minimum order on request
    Price on request
    View
  • ChemPep
    Unclaimed profile
    PyBOPGrade, purity and minimum order on request
    Price on request
    View
  • Amfluoro
    China, HangzhouUnclaimed profile
    PyBOPGrade, purity and minimum order on request
    Price on request
    View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

13 suppliers in 3 countries

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PyBOP price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code PyBOP is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for PyBOP is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about PyBOP, based on the data on this page

What is PyBOP?

PyBOP is a chemical substance with the molecular formula C18H28F6N6OP2 and a molar mass of 520.40 g/mol. Its CAS registry number is 128625-52-5. The IUPAC name is benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium hexafluorophosphate.

What is the CAS number of PyBOP?

The CAS registry number of PyBOP is 128625-52-5. Other or deprecated CAS numbers: 132701-58-7.

What is the molecular formula and weight of PyBOP?

The molecular formula of PyBOP is C18H28F6N6OP2 and its molar mass is 520.40 g/mol.

What is PyBOP used for?

Known uses and roles of PyBOP include synthesis reagents in research and laboratory.

Is PyBOP hazardous?

PyBOP carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of PyBOP?

PyBOP is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy PyBOP?

CompoundList lists 13 suppliers of PyBOP in China, United Arab Emirates and India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy PyBOP in India?

1 supplier in India list PyBOP on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of PyBOP?

Suppliers quote PyBOP on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle PyBOP

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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