HC Red 3

C₈H₁₁N₃O₃CAS 2871-01-4197.19 g/mol

Open in Covalent MOL file

Alcohol Nitro Primary amine Secondary amine

Properties

Molecular formula: C₈H₁₁N₃O₃
Molar mass: 197.19 g/mol
Exact mass: 197.0800 Da
Melting point: 127 °C
Water solubility: < 100 mg/L (17.8 °C)
logP: 0.58Crippen estimate
Polar surface area: 101.4 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation65.8% of notifiers
H317 May cause an allergic skin reaction79.7% of notifiers
H319 Causes serious eye irritation67.1% of notifiers
H335 May cause respiratory irritation54.4% of notifiers
H411 Toxic to aquatic life with long lasting effects30.4% of notifiers

Aggregated from 79 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

2871-01-4

SMILES

Nc1ccc(NCCO)c([N+](=O)[O-])c1

InChIKey

GZGZVOLBULPDFD-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N3O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4,9H2

Weigh it out

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

Names and synonyms

14 names · show all

Ethanol, 2-[(4-amino-2-nitrophenyl)amino]-
Ethanol, 2-(4-amino-2-nitroanilino)-
2-[(4-Amino-2-nitrophenyl)amino]ethanol
N1-(2-Hydroxyethyl)-2-nitro-p-phenylenediamine
N-(2-Hydroxyethyl)-2-nitro-p-phenylenediamine
N1-(2′-Hydroxyethyl)-2-nitro-p-phenylenediamine
HC red no. 3
4-(2-Hydroxyethyl)amino-3-nitroaniline
HC red number 3
2-Nitro-4-amino-1-(2-hydroxyethylamino)benzene
Red no. 3
1-[(2-Hydroxyethyl)amino]-2-nitro-4-aminobenzene
2-(4-Amino-2-nitroanilino)ethanol
2-[(4-Amino-2-nitrophenyl)amino]ethan-1-ol

Work with HC Red 3

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-[(2,4-Dinitrophenyl)amino]ethanol1945-92-271 % similar 2,2′-[(2-Nitro-1,4-phenylene)diimino]bis[ethanol]84041-77-071 % similar 4-[(2-Hydroxyethyl)amino]-3-nitrophenol65235-31-669 % similar 2-[(4-Methyl-2-nitrophenyl)amino]ethanol100418-33-567 % similar HC Yellow 24926-55-063 % similar HC Blue 233229-34-463 % similar HC Red 12784-89-659 % similar 4-Hydroxypropylamino-3-nitrophenol92952-81-359 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

HC Red 724905-87-1 N-Acetyl-L-histidine2497-02-1 HC Yellow 556932-44-6 Phenylguanidine bicarbonate6685-76-3

Elsewhere

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