2-Amino-5-nitro-2′-chlorobenzophenone

C₁₃H₉ClN₂O₃CAS 2011-66-7276.68 g/mol

Open in Covalent MOL file

Aryl halide Ketone Nitro Primary amine

Properties

Molecular formula: C₁₃H₉ClN₂O₃
Molar mass: 276.68 g/mol
Exact mass: 276.0302 Da
Melting point: 118–120 °C
logP: 3.06Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed30% of notifiers
H315 Causes skin irritation40% of notifiers
H319 Causes serious eye irritation40% of notifiers
H335 May cause respiratory irritation10% of notifiers
H341 Suspected of causing genetic defects40% of notifiers
H411 Toxic to aquatic life with long lasting effects20% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

2011-66-7

SMILES

Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl

InChIKey

GRDGBWVSVMLKBV-UHFFFAOYSA-N

InChI

InChI=1S/C13H9ClN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2

Weigh it out

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

Names and synonyms

5 names

Methanone, (2-amino-5-nitrophenyl)(2-chlorophenyl)-
Benzophenone, 2-amino-2′-chloro-5-nitro-
(2-Amino-5-nitrophenyl)(2-chlorophenyl)methanone
2-Amino-2′-chloro-5-nitrobenzophenone
2-Amino-5-nitro-2'-chlorobenzophenone

Work with 2-Amino-5-nitro-2′-chlorobenzophenone

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-Amino-2'-fluoro-5-nitrobenzophenone344-80-973 % similar 2-Amino-5-nitrobenzophenone1775-95-770 % similar 2-Chloro-5-nitrobenzophenone34052-37-463 % similar 2-Amino-2',5-dichlorobenzophenone2958-36-361 % similar 2-Chloro-4-nitroaniline121-87-960 % similar 2-(2-Chloroacetamido)-5-nitro-2'-chlorobenzophenone180854-85-759 % similar 2-Chloro-5-nitrobenzamide16588-15-157 % similar 2-Amino-5-nitrobenzoic acid616-79-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5-nitrobenzanilide22978-25-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook