Bromomethyltriphenylphosphonium bromide

C₁₉H₁₇Br₂PCAS 1034-49-7436.13 g/mol

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Properties

Molecular formula: C₁₉H₁₇Br₂P
Molar mass: 436.13 g/mol
Exact mass: 433.9435 Da
Melting point: 195–225 °C
logP: 1.34Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1034-49-7

SMILES

BrC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

InChIKey

YFTMLUSIDVFTKU-UHFFFAOYSA-M

InChI

InChI=1S/C19H17BrP.BrH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1

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Names and synonyms

3 names

Phosphonium, (bromomethyl)triphenyl-, bromide (1:1)
Phosphonium, (bromomethyl)triphenyl-, bromide
NSC 193751

Work with Bromomethyltriphenylphosphonium bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-563 % similar (3-Bromopropyl)triphenylphosphonium bromide3607-17-859 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-658 % similar (4-Bromobutyl)triphenylphosphanium bromide7333-63-357 % similar Benzyltriphenylphosphonium bromide1449-46-356 % similar Ethyltriphenylphosphonium bromide1530-32-156 % similar (p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-656 % similar (Cyclopropylmethyl)triphenylphosphonium bromide14799-82-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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