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C₁₈H₂₈F₆N₆OP₂CAS 128625-52-5520.40 g/mol

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Tertiary amine

Properties

Molecular formula: C₁₈H₂₈F₆N₆OP₂
Molar mass: 520.40 g/mol
Exact mass: 520.1704 Da
Melting point: 156–157 °C
logP: 6.21Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed14.9% of notifiers
H315 Causes skin irritation87.8% of notifiers
H317 May cause an allergic skin reaction12.2% of notifiers
H319 Causes serious eye irritation87.8% of notifiers
H335 May cause respiratory irritation86.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects12.2% of notifiers

Aggregated from 74 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

128625-52-5

SMILES

F[P-](F)(F)(F)(F)F.c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

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

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Names and synonyms

7 names

Phosphorus(1+), [1-(hydroxy-κO)-1H-benzotriazolato]tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-) (1:1)
Pyrrolidine, phosphorus complex
1H-Benzotriazole, 1-hydroxy-, phosphorus complex
Benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate
1-Benzotriazolyloxytripyrrolidinylphosphonium hexafluorophosphate
(1-Hydroxy-1H-benzotriazolato-O)tri-1-pyrrolidinylphosphorus(1+) hexafluorophosphate(1-)
1H-Benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate

Work with PyBOP

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Similar compounds

(6-Chloro-1H-benzotriazol-1-yloxy)tripyrrolidinophosphonium Hexafluorophosphate893413-42-869 % similar Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphate56602-33-668 % similar ((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate156311-83-068 % similar O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate105379-24-657 % similar (Benzotriazol-1-yloxy)dipiperidinocarbenium hexafluorophosphate190849-64-056 % similar (7-Azabenzotriazol-1-yloxy)tris(dimethylamino)phosphonium Hexafluorophosphate156311-85-245 % similar Bis(hydroxybenzotriazolyl) carbonate88544-01-841 % similar Hdbtu164861-52-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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