1,3-Dibromo-5-(trifluoromethyl)benzene

C₇H₃Br₂F₃CAS 401-84-3303.90 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃Br₂F₃
Molar mass: 303.90 g/mol
Exact mass: 301.8554 Da
Melting point: 47.4–48 °C
Boiling point: 117–118 °C (at 38 Torr)
logP: 4.23Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

401-84-3

SMILES

FC(F)(F)c1cc(Br)cc(Br)c1

InChIKey

OFNXSUANJLHGQN-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Br2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,3-dibromo-5-(trifluoromethyl)-
Toluene, 3,5-dibromo-α,α,α-trifluoro-
3,5-Dibromobenzotrifluoride
3,5-Dibromo-1-(trifluoromethyl)benzene

Work with 1,3-Dibromo-5-(trifluoromethyl)benzene

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-Bromo-3,5-bis(trifluoromethyl)benzene328-70-189 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-671 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-368 % similar 3-Bromo-5-(trifluoromethyl)toluene86845-28-568 % similar 1-Bromo-3-chloro-5-(trifluoromethyl)benzene928783-85-168 % similar 3-Bromo-5-(trifluoromethyl)benzaldehyde477535-41-461 % similar 1-Bromo-3-(trifluoromethyl)benzene401-78-560 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook