(3-Bromopropyl)phosphonic acid

C₃H₈BrO₃PCAS 1190-09-6202.97 g/mol

Open in Covalent MOL file

Alkyl halide Phosphonate

Properties

Molecular formula: C₃H₈BrO₃P
Molar mass: 202.97 g/mol
Exact mass: 201.9394 Da
logP: 0.95Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

1190-09-6

SMILES

C(CP(=O)(O)O)CBr

InChIKey

CXOIECRVHUDBSA-UHFFFAOYSA-N

InChI

InChI=1S/C3H8BrO3P/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with (3-Bromopropyl)phosphonic acid

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

3-Aminopropylphosphonic acid13138-33-552 % similar Tetradecylphosphonic acid4671-75-448 % similar Hexylphosphonic acid4721-24-848 % similar Octadecylphosphonic acid4724-47-448 % similar Octylphosphonic acid4724-48-548 % similar Propylphosphonic acid4672-38-246 % similar Ethephon16672-87-044 % similar (2-Aminoethyl)phosphonic acid2041-14-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook