4,4'-Methylenebis[2,6-diethylaniline] (HCID 83656)

Namen und Bezeichner

Bevorzugter Name: 4,4'-Methylenebis[2,6-diethylaniline]
IUPAC: 4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylaniline
Lokaler Name: 4,4'-Methylenbis(2,6-diethyl-anilin)
Englischer Name: 4,4'-Methylenebis(2,6-diethylaniline)
Summenformel: C21H30N2
Molmasse: 310.48

Namen und Synonyme

4,4'-Methylenebis(2,6-diethylaniline)Benzenamine, 4,4'-methylenebis[2,6-diethyl-DTXSID4048191EINECS 237-185-44,4'-methylenebis[2,6-diethylaniline]DTXCID5028166Benzenamine, 4,4'-methylenebis(2,6-diethyl-RefChem:96295Benzenamine, 4,4'methylenebis(2,6diethyl237-185-413680-35-84,4-methylenebis(2,6-diethylaniline)

Weitere Namen anzeigen

JADEWIN MDEALONZACURE(R) M-DEALABOTEST-BB LT000533564,4'-Methandiylbis(2,6-diethylanilin)4,4′-Methylenebis (2,6-diethyIaniline)4,4’-methylenebis[2,6-diethyl-benzenamin4,4'-Methylenebis(2,6-diethylaniline)>

4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylanilineMFCD000715524,4/'-Methylenebis(2,6-diethylaniline)44'-Methylenebis(26-diethylaniline)4-[(4-amino-3,5-diethyl-phenyl)methyl]-2,6-diethyl-aniline4,4'-Diamino-3,3',5,5'-tetraethyldiphenylmethaneBis(4-amino-3,5-diethylphenyl)methane4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylphenylamine

Datenbank-Bezeichner

CAS: 13680-35-8
PubChem CID: 83656
DTXSID: DTXSID4048191
ChEMBL: CHEMBL3183903
EC Number: 237-185-4
Nikkaji: J111.239B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,7
Polarare Oberfläche (TPSA): 52 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 6
Schwere Atome: 23
Formalladung: 0
Komplexität: 283

Experimentelle und physikochemische Eigenschaften

Physical Description · 2 Einträge

Other Solid

Light brown crystalline solid; [Sigma-Aldrich MSDS]

Collision Cross Section · 1 Eintrag

184.4 Å² [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4048191]；196.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4048191]；196.5 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4048191]

Physikochemische Eigenschaften

Schmelzpunkt: 88 · 88-90 °C(lit.)
Siedepunkt: 205 °C · 205 °C / 0.5mmHg
Dichte: 0.9 · 0.90
Dampfdruck: 0 Pa · 0Pa at 25℃
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: soluble in Toluene
Aggregatzustand: powder to crystal
pka: 4.88 · 4.88±0.25(Predicted)
Farbe: White to Almost white
Wasserlöslichkeit: 440 μg/L · 440μg/L at 20℃
InChI: InChI=1S/C21H30N2/c1-5-16-10-14(11-17(6-2)20(16)22)9-15-12-18(7-3)21(23)19(8-4)13-15/h10-13H,5-9,22-23H2,1-4H3
InChIKey: NWIVYGKSHSJHEF-UHFFFAOYSA-N
SMILES: C(C1=CC(CC)=C(N)C(CC)=C1)C1=CC(CC)=C(N)C(CC)=C1
LogP: 4.29 at · 4.29 at 25℃
CAS Datenbank: 13680 · 13680-35-8(CAS DataBase Reference)
EPA chemische Informationen: 4 · Benzenamine, 4,4'-methylenebis[2,6-diethyl- (13680-35-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 0.7% (2 of 289) of reports.

Warning

H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (14.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (14.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (14.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (57.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 289 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 289 reports by companies.；There are 9 notifications provided by 287 of 289 reports by companies with hazard statement code(s).；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

Regulatory Information · 4 Einträge

Chemical: Benzenamine, 4,4'-methylenebis[2,6-diethyl-

Benzenamine, 4,4'-methylenebis[2,6-diethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 4,4'-methylenebis[2,6-diethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 09-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/21592

Benzenamine, 4,4'-methylenebis[2,6-diethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryAn irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See 4,4'-Methylenebis(2-ethylbenzenamine), 4,4'-Methylenedianiline, and MBOCA.

Hazard Classes and CategoriesAcute Tox. 4 (98.6%)；Skin Irrit. 2 (14.5%)；Eye Irrit. 2 (14.9%)；STOT SE 3 (14.2%)；Aquatic Chronic 2 (57.4%)

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: Benzenamine, 4,4'-methylenebis[2,6-diethyl-

Benzenamine, 4,4'-methylenebis[2,6-diethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 4,4'-methylenebis[2,6-diethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 09-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/21592

Benzenamine, 4,4'-methylenebis[2,6-diethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29215900
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 55,668 lb；2022: 56,923 lb；2021: 53,343 lb；2020: 22,540 lb

Industry UsesHardener

General Manufacturing Information · 2 Einträge

Paint and Coating Manufacturing

Benzenamine, 4,4'-methylenebis[2,6-diethyl-: ACTIVE

Anwendungen

VerwendenLONZACURE(R) M-DEA is an excellent chain extender for polyurethanes (PU) and also a curing agent for epoxides (EP). It provides improved mechanical and dynamic properties which cannot be achieved with standard formulations.