Difluoro{2-[(3,5-dimethyl-2H-pyrrol-2-ylidene-N)phenylmethyl]-3,5-dimethyl-1H-pyrrolato-N}boron
Properties
- Molecular formula
- C19H19BF2N2
- Molar mass
- 324.18 g/mol
- Exact mass
- 324.1609 Da
- logP
- 4.53Crippen estimate
- Polar surface area
- 7.9 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 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
194235-40-0SMILES
[B-]1(N2C(=CC(=C2C(=C3[N+]1=C(C=C3C)C)C4=CC=CC=C4)C)C)(F)FInChIKey
QFNRXPJMRSOECW-UHFFFAOYSA-NInChI
InChI=1S/C19H19BF2N2/c1-12-10-14(3)23-18(12)17(16-8-6-5-7-9-16)19-13(2)11-15(4)24(19)20(23,21)22/h5-11H,1-4H3Characterization data
Calculated from the structure, in the form journals print them.
[M + H]+
[M + H]+ Calcd for C19H20BF2N2 325.1682[M + Na]+
[M + Na]+ Calcd for C19H19BF2N2Na 347.1502[M − H]−
[M − H]− Calcd for C19H18BF2N2 323.1537Elemental analysis
Anal. Calcd for C19H19BF2N2: C, 70.40; H, 5.91; N, 8.64.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 name
- 4,4-Difluoro-1,3,5,7-tetramethyl-8-phenyl-4-bora-3a,4a-diaza-s-indacene