4-Bromo-2-chloro-1-fluorobenzene

C₆H₃BrClFCAS 60811-21-4209.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃BrClF
Molar mass: 209.44 g/mol
Exact mass: 207.9091 Da
Boiling point: 92 °C (at 35 Torr)
logP: 3.24Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H315 Causes skin irritationSkin corrosion/irritation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 602-089-00-7), via PubChem.

Precautionary statements

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, P501

Identifiers

CAS number

60811-21-4

SMILES

Fc1ccc(Br)cc1Cl

InChIKey

CJTIWGBQCVYTQE-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrClF/c7-4-1-2-6(9)5(8)3-4/h1-3H

Weigh it out

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

Names and synonyms

7 names

Benzene, 4-bromo-2-chloro-1-fluoro-
3-Chloro-4-fluorobromobenzene
4-Bromo-2-chlorofluorobenzene
1-Bromo-3-chloro-4-fluorobenzene
5-Bromo-2-fluorochlorobenzene
1-Bromo-4-Fluoro-3-chlorobenzene
3-Chloro-4-fluorophenyl bromide

Work with 4-Bromo-2-chloro-1-fluorobenzene

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

4-Bromo-1,2-dichlorobenzene18282-59-260 % similar 1-Bromo-3,4-difluorobenzene348-61-860 % similar 3-Chloro-4-fluorophenol2613-23-257 % similar 2,4-Dichlorofluorobenzene1435-48-956 % similar 2,4-Dibromo-1-fluorobenzene1435-53-656 % similar 1-Chloro-2,5-difluorobenzene2367-91-156 % similar 1,4-Dibromo-2-chlorobenzene3460-24-056 % similar 2-Chloro-1-fluoro-4-methylbenzene1513-25-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2-chloro-4-fluorobenzene110407-59-5 1-Bromo-3-chloro-2-fluorobenzene144584-65-6 1-Bromo-4-chloro-2-fluorobenzene1996-29-8 2-Bromo-4-chloro-1-fluorobenzene1996-30-1 2-Bromo-1-chloro-4-fluorobenzene201849-15-2 2-Bromo-1-chloro-3-fluorobenzene309721-44-6 1-Bromo-3-chloro-5-fluorobenzene33863-76-2 4-Bromo-1-chloro-2-fluorobenzene60811-18-9

Elsewhere

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