2-Bromo-4-(tert-butyl)aniline

C₁₀H₁₄BrNCAS 103273-01-4228.13 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₁₀H₁₄BrN
Molar mass: 228.13 g/mol
Exact mass: 227.0310 Da
logP: 3.33Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% 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

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

Identifiers

CAS number

103273-01-4

SMILES

CC(C)(C)C1=CC(=C(C=C1)N)Br

InChIKey

OLKYFBNIFKQRIZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H14BrN/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,12H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

2-Bromo-4-tert-butylaniline

Work with 2-Bromo-4-(tert-butyl)aniline

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-Butyl)-1,2-diaminobenzene68176-57-864 % similar 2-Bromo-4-trifluoromethylaniline57946-63-161 % similar 2-Bromo-4-tert-butylphenol2198-66-556 % similar 2-Bromo-4-tert-butyl-1-iodo-benzene860435-39-856 % similar 2-Bromo-4,4'-di-tert-butylbiphenyl70728-89-155 % similar 2-Bromo-4-methylaniline583-68-652 % similar 2-Amino-4-tert-butylphenol1199-46-852 % similar 2,4-Dibromoaniline615-57-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-N,N-diethylbenzenamine2052-06-4 4-Bromo-2,6-diethylaniline56746-19-1

Elsewhere

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