Polyaniline

C₆H₇NCAS 25233-30-193.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₇N
Molar mass: 93.13 g/mol
Exact mass: 93.0578 Da
Density: 1.1–1.3 g/mL
Melting point: 745 °C
Boiling point: 184 °C
pKa: 4.6 (conjugate acid, 25 °C)
Flash point: 76 °C (closed cup)
Water solubility: 36 g/L (25 °C)
logP: 1.27Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H317 May cause an allergic skin reactionSensitization, Skin
H318 Causes serious eye damageSerious eye damage/eye irritation
H331 Toxic if inhaledAcute toxicity, inhalation
H341 Suspected of causing genetic defectsGerm cell mutagenicity
H351 Suspected of causing cancerCarcinogenicity
H372 ** Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard

Harmonised EU classification (CLP Annex VI, index 612-008-00-7), via PubChem.

Precautionary statements

P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

25233-30-1

SMILES

Nc1ccccc1

InChIKey

PAYRUJLWNCNPSJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2

Weigh it out

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

Names and synonyms

28 names · show all

JGT-EB 1
NS 09/205W
PANT
XZ-BA 02
XZ-BAY 03
Benzenamine, homopolymer
Aniline, polymers
Aniline homopolymer
Aniline polymer
Polyphenyleneamine
Polyemeraldine
Versicon
Ormecon
Anirido
Corrpassiv 4900
Corrpassiv 4901
Skippers corrpassiv
XICP O501
PASS 01
P 4000W
D 1002W
D 1500W
Anilide SB 50
Kemipol
Panipol W
Aniline acetate homopolymer
JGT ES 1
ZP-ES 1

Work with Polyaniline

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

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.

Benzen-2,3,4,5,6-d5-amine4165-61-1Labelled Benzenamine hydrochloride (1:1)142-04-1Salt Aniline sulfate542-16-5Salt Aniline62-53-3

Similar compounds

4-Amino-P-terphenyl7293-45-065 % similar 4-Aminobiphenyl92-67-165 % similar P-Phenylenediamine106-50-362 % similar M-Phenylenediamine108-45-256 % similar 4-Aminodiphenylamine101-54-255 % similar 4-Benzylaniline1135-12-255 % similar (4-Aminophenoxy)benzene139-59-355 % similar 3-Aminobiphenyl2243-47-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methylpyridine108-89-4 3-Methylpyridine108-99-6 2-Methylpyridine109-06-8 2-Methylpyridine1333-41-1 5-Hexynenitrile14918-21-9 3-Methylenecyclobutanecarbonitrile15760-35-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook