2-Iodo-4-methylaniline

HCID 2764000

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Grundinformationen

CAS: 29289-13-2
Standard-SMILES: Cc1ccc(N)c(I)c1
InChIKey: AJTUKWIQLKKRHE-UHFFFAOYSA-N
Summenformel: C7H8IN
Durchschnittliche Molmasse: 233,05 g/mol
Monoisotopische Masse: 232,97015

Namen und Bezeichner

Bevorzugter Name: 2-Iodo-4-methylaniline
IUPAC: 2-iodo-4-methylaniline
Englischer Name: 2-Iodo-4-methylaniline
Summenformel: C7H8IN
Molmasse: 233.05

Namen und Synonyme

2-iodo-4-methylaniline29289-13-2DTXSID00377244RefChem:87657DTXCID60328272608-339-1Benzenamine, 2-iodo-4-methyl-MFCD034073912-Iodo-4-methylbenzenamine2-Iodo-4-methylaniline, 97%SCHEMBL406084Benzenamine,2-iodo-4-methyl-

Weitere Namen anzeigen

BUTTPARK 34\09-132-Iodo-4-Methylanline2-Iodo-4-methylaniline 97%4-Amino-2-iodotoluene~3-Iodo-p-toluidine4-Amino-3-iodotoluene, 2-Iodo-p-toluidine

(2-iodo-4-methyl-phenyl)-amine4-Amino-3-iodotoluene2-Iodo-4-methyl-aniline2-iodo-4-methylphenylamineSCHEMBL3388274SCHEMBL31717223AJTUKWIQLKKRHE-UHFFFAOYSA-NSBB098035

Datenbank-Bezeichner

CAS: 29289-13-2
PubChem CID: 2764000
DTXSID: DTXSID00377244
EC Number: 608-339-1
Nikkaji: J519.033I

Eigenschaften

Berechnete Struktureigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt: 34 · 34-37°C
Siedepunkt: 273 °C · 273°C (rough estimate)
Dichte: 1.7004 · 1.7004 (estimate)
Flammpunkt: 110 °C · >110°C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 2.97 · 2.97±0.10(Predicted)
Aggregatzustand: crystalline powder
Farbe: cream
InChI: 1S/C7H8IN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey: AJTUKWIQLKKRHE-UHFFFAOYSA-N
SMILES: NC1=C(I)C=C(C)C=C1
CAS Datenbank: 29289 · 29289-13-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: 2811
hs_code: 29214300
risk_code: 36/37/38-41-37/38-25
hazard_code: T,Xi
safety_code: 26-37/39-36/37/39-27-45
hazard_class: IRRITANT
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 Irrit. 2STOT SE 3