Chloramben

C₇H₅Cl₂NO₂CAS 133-90-4206.02 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₇H₅Cl₂NO₂
Molar mass: 206.02 g/mol
Exact mass: 204.9697 Da
Melting point: 200–201 °C
Boiling point: 312 °C
Water solubility: < 100 mg/L (22.2 °C)
logP: 2.27Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation92.9% of notifiers
H319 Causes serious eye irritation92.9% of notifiers
H335 May cause respiratory irritation92.9% of notifiers
H350 May cause cancer92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

133-90-4

SMILES

Nc1cc(Cl)cc(C(=O)O)c1Cl

InChIKey

HSSBORCLYSCBJR-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)

Weigh it out

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

Names and synonyms

8 names

Benzoic acid, 3-amino-2,5-dichloro-
3-Amino-2,5-dichlorobenzoic acid
Ambiben
Amibin
Amoben
Amiben
2,5-Dichloro-3-aminobenzoic acid
Vegiben

Work with Chloramben

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,5-Trichlorobenzoic acid50-73-765 % similar 2-Amino-4-chlorobenzoic acid89-77-065 % similar 2-Amino-5-chlorobenzoic acid635-21-263 % similar 2,5-Diaminoterephthalic acid945-30-255 % similar Aminopyralid150114-71-954 % similar 2-Amino-5-chloro-3-methylbenzoic acid20776-67-454 % similar 2,5-Dichloro-3-nitrobenzoic acid88-86-854 % similar 4-Chlorophthalic acid89-20-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6-methoxyisonicotinoyl chloride116853-97-5 2-Amino-4,5-dichlorobenzoic acid20776-61-8 4,6-Dichloroanthranilic acid20776-63-0 3,5-Dichloroanthranilic acid2789-92-6 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-0 3,6-Dichloroanthranilic acid3032-32-4 Methyl 2,6-dichloroisonicotinate42521-09-5 4-Amino-3,5-dichlorobenzoic acid56961-25-2

Elsewhere

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