2-Bromo-4-isopropylaniline

C₉H₁₂BrNCAS 51605-97-1214.11 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₉H₁₂BrN
Molar mass: 214.11 g/mol
Exact mass: 213.0153 Da
logP: 3.15Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled12.5% of notifiers
H302 Harmful if swallowed87.5% of notifiers
H312 Harmful in contact with skin87.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled87.5% of notifiers
H335 May cause respiratory irritation37.5% 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, 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

51605-97-1

SMILES

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

InChIKey

WEMDUNBELVTSRP-UHFFFAOYSA-N

InChI

InChI=1S/C9H12BrN/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3

Weigh it out

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

Work with 2-Bromo-4-isopropylaniline

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

2,6-Dibromo-4-(1-methylethyl)benzenamine10546-65-357 % similar 2-Amino-p-cymene2051-53-853 % similar 2-Bromo-4-methylaniline583-68-652 % similar 2-Amino-5-isopropylbenzotrifluoride87617-29-651 % similar 2,4-Dibromoaniline615-57-650 % similar 2-Bromo-4-(tert-butyl)aniline103273-01-447 % similar 2-Bromo-4-fluoroaniline1003-98-147 % similar 2-Bromo-4-chloroaniline873-38-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-6-tert-butylpyridine195044-14-5 2-Bromo-4-tert-butylpyridine50488-34-1 3-Bromo-2,4,6-trimethylaniline82842-52-2 4-Bromo-2,6-diethyl-pyridine877133-54-5

Elsewhere

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