2-Bromo-4-tert-butylphenol

C₁₀H₁₃BrOCAS 2198-66-5229.12 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₁₀H₁₃BrO
Molar mass: 229.12 g/mol
Exact mass: 228.0150 Da
Melting point: 52 °C
Boiling point: 113 °C (at 9 Torr)
logP: 3.45Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation87.5% of notifiers
H319 Causes serious eye irritation87.5% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation25% of notifiers
H411 Toxic to aquatic life with long lasting effects37.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

2198-66-5

SMILES

CC(C)(C)c1ccc(O)c(Br)c1

InChIKey

FFRLMQPMGIMHHQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H13BrO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3

Weigh it out

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

Names and synonyms

5 names

Phenol, 2-bromo-4-(1,1-dimethylethyl)-
Phenol, 2-bromo-4-tert-butyl-
2-Bromo-4-(1,1-dimethylethyl)phenol
4-tert-Butyl-2-bromophenol
NSC 2360

Work with 2-Bromo-4-tert-butylphenol

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-tert-Butylcatechol98-29-364 % similar 2-Bromo-4-(trifluoromethyl)phenol81107-97-361 % similar 2,4-Di-tert-butylphenol96-76-460 % similar 4-tert-Butyl-2-methylphenol98-27-158 % similar 2-Bromo-4-(tert-butyl)aniline103273-01-456 % similar 2-Amino-4-tert-butylphenol1199-46-856 % similar 2-Bromo-4-tert-butyl-1-iodo-benzene860435-39-856 % similar 2-Bromo-4,6-di-tert-butylphenol20834-61-155 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-2-tert-butylphenol10323-39-4 (4-Bromobutoxy)benzene1200-03-9 4-Butoxybromobenzene39969-57-8 Benzyl 3-bromopropyl ether54314-84-0

Elsewhere

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