3-Iod-p-toluidin

3-Iodo-p-toluidine

HCID 118889CAS 35944-64-0

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Grundinformationen

Standard-SMILES: Cc1ccc(N)cc1I
InChIKey: RRUDMHNAMZFNEK-UHFFFAOYSA-N
Summenformel: C7H8IN
Durchschnittliche Molmasse: 233,05 g/mol
Monoisotopische Masse: 232,97014726

Namen und Bezeichner

Bevorzugter Name: 3-Iodo-p-toluidine
IUPAC: 3-iodo-4-methylaniline
Lokaler Name: 3-Iod-p-toluidin
Englischer Name: 3-Iodo-4-methylaniline
Summenformel: C7H8IN
Molmasse: 233.05

Namen und Synonyme

3-Iodo-p-toluidine3-iodo-4-methylbenzenamineRefChem:502750252-803-23-Iodo-4-methylaniline35944-64-0Benzenamine, 3-iodo-4-methyl-MFCD000478434-AMINO-2-IODOTOLUENEp-Toluidine, 3-iodo-BRN 23535673-iodo-4-methyl-aniline

Weitere Namen anzeigen

3-iodo-p-toluidin3-IODO-PARA-TOLUIDINE2-Iodine-4-aminotoluene3-Iodo-4-methylaniline>3-Iodo-4-methylaniline 97%

EINECS 252-803-2Benzenamine, 3-iodo-4-methyl- (9CI)2-12-00-00533 (Beilstein Handbook Reference)EN300-174183-iodo-4-methyl-phenylamine3-iodo-4-methylphenylamine3-iodo-4-methyl aniline3-Iodo-4-methylphenyl amine

Datenbank-Bezeichner

CAS: 35944-64-0
PubChem CID: 118889
DTXSID: DTXSID20189503
EC Number: 252-803-2
Nikkaji: J48.082G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 94,9

Physikochemische Eigenschaften

Schmelzpunkt: 37 · 37-41 °C (lit.)
Siedepunkt: 289.4 · 289.4±28.0 °C(Predicted)
Dichte: 1.791 · 1.791±0.06 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: powder to lump
pka: 4.07 · 4.07±0.10(Predicted)
Farbe: White to Amber to Dark green
Wasserlöslichkeit: Insoluble in water.
BRN: 2353567 · 2353567
InChI: 1S/C7H8IN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
InChIKey: RRUDMHNAMZFNEK-UHFFFAOYSA-N
SMILES: Cc1ccc(N)cc1I
CAS Datenbank: 35944 · 35944-64-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (89.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (89.1%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 2921420090
RTECS-Nr.: XU7700000
risk_code: 25-41-43
hazard_code: T
safety_code: 26-36/37/39-45
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Sens. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Iodo-4-methylaniline is used as fine chemicals, pharmaceutical intermediates. 2-[((3-iodo-4-methyl)phenylimino)methyl]-5-nitrothiophene was derived from 5-nitro-2-thiophene-carboxaldehyde and 3-iodo-4-methylaniline. 1-(3-iodo-4-methylphenyl)-3-tert-butyl-2H-aminopyrazole (5), prepared from 3-iodo-4-methylaniline.