Methyl red sodium salt

C₁₅H₁₄N₃NaO₂CAS 845-10-3291.29 g/mol

Open in Covalent MOL file

Azo Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₅H₁₄N₃NaO₂
Molar mass: 291.29 g/mol
Exact mass: 291.0984 Da
logP: 3.49Crippen estimate
Polar surface area: 65.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled51.9% of notifiers
H302 Harmful if swallowed64.8% of notifiers
H312 Harmful in contact with skin57.4% of notifiers
H315 Causes skin irritation57.4% of notifiers
H319 Causes serious eye irritation57.4% of notifiers
H332 Harmful if inhaled57.4% of notifiers
H335 May cause respiratory irritation57.4% of notifiers

Aggregated from 54 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

845-10-3

SMILES

CN(C)c1ccc(N=Nc2ccccc2C([O-])=O)cc1.[Na+]

InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-, sodium salt (1:1)
C.I. Acid Red 2, sodium salt
Benzoic acid, 2-[[4-(dimethylamino)phenyl]azo]-, sodium salt
o-Methyl red sodium salt

Work with Methyl red sodium salt

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methyl red493-52-7Free acid

Similar compounds

Methyl yellow60-11-753 % similar Methyl orange547-58-048 % similar Ethyl red76058-33-845 % similar Fenaminosulf140-56-745 % similar 3-(2-(4-(Dimethylamino)phenyl)diazenyl)benzoic acid20691-84-344 % similar 2-[2-[4-(Dipropylamino)phenyl]diazenyl]benzoic acid2641-01-243 % similar Olsalazine sodium6054-98-443 % similar Sodium o-fluorobenzoate490-97-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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