3-Methyl-1-phenyl-2-phospholene 1-oxide

C₁₁H₁₃OPCAS 707-61-9192.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₃OP
Molar mass: 192.20 g/mol
Exact mass: 192.0704 Da
Boiling point: 150 °C (at 0.15 Torr)
logP: 2.98Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled63% of notifiers
H302 Harmful if swallowed99.4% of notifiers
H312 Harmful in contact with skin87.3% of notifiers
H315 Causes skin irritation87.3% of notifiers
H319 Causes serious eye irritation86.7% of notifiers
H332 Harmful if inhaled87.3% of notifiers
H335 May cause respiratory irritation87.3% of notifiers
H351 Suspected of causing cancer23% of notifiers
H411 Toxic to aquatic life with long lasting effects63% of notifiers

Aggregated from 165 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

707-61-9

SMILES

CC1=CP(=O)(c2ccccc2)CC1

InChIKey

YMKWWHFRGALXLE-UHFFFAOYSA-N

InChI

InChI=1S/C11H13OP/c1-10-7-8-13(12,9-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3

Weigh it out

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

Names and synonyms

8 names

1H-Phosphole, 2,3-dihydro-4-methyl-1-phenyl-, 1-oxide
2-Phospholene, 3-methyl-1-phenyl-, 1-oxide
1-Oxo-1-phenyl-3-methyl-2-phospholene
1-Phenyl-3-methyl-2-phospholene 1-oxide
1-Oxo-3-methyl-1-phenyl-2-phospholene
2,3-Dihydro-4-methyl-1-phenyl-1H-phosphole 1-oxide
NSC 107634
3-Methyl-1-phenyl-2-phospholen 1-oxide

Work with 3-Methyl-1-phenyl-2-phospholene 1-oxide

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

1-(Triphenylphosphoranylidene)-2-propanone1439-36-736 % similar Ethyldiphenylphosphine oxide1733-57-935 % similar Methyldiphenylphosphine oxide2129-89-734 % similar 2-Carboxyethyl(phenyl)phosphinic acid14657-64-834 % similar Diethyl phenylphosphonate1754-49-033 % similar Triphenylphosphine oxide791-28-633 % similar Triphenylcarbethoxymethylenephosphorane1099-45-232 % similar Dimethyl P-phenylphosphonate2240-41-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Phenyl-4-phosphorinanone23855-87-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook