1-Bromo-3,3-dimethylbutane

C₆H₁₃BrCAS 1647-23-0165.07 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₆H₁₃Br
Molar mass: 165.07 g/mol
Exact mass: 164.0201 Da
logP: 2.82Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor33.3% of notifiers
H226 Flammable liquid and vapor33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1647-23-0

SMILES

CC(C)(C)CCBr

InChIKey

ROKZAMCDHKVZIQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H13Br/c1-6(2,3)4-5-7/h4-5H2,1-3H3

Weigh it out

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

Work with 1-Bromo-3,3-dimethylbutane

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-2,2-dimethylpropane630-17-144 % similar 2,2-Dimethylpentane590-35-242 % similar 1-Chloro-3,3-dimethylbutane2855-08-540 % similar 3-Bromo-1,1,1-trifluoropropane460-32-240 % similar 3,3-Dimethyl-1-butanol624-95-340 % similar 2,2-Dimethylhexane590-73-838 % similar 2,2,5-Trimethylhexane3522-94-936 % similar 2,2,4,4-Tetramethylpentane1070-87-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromohexane111-25-1 2-Bromohexane3377-86-4 3-Bromohexane3377-87-5 1-Bromo-2-ethylbutane3814-34-4 1-Bromo-4-methylpentane626-88-0

Elsewhere

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