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

名称と識別子

優先名称: 4,4'-Methylenebis[2,6-diethylaniline]
IUPAC: 4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylaniline
現地名: 4,4'-メチレンビス(2,6-ジエチルアニリン)
英語名: 4,4'-Methylenebis(2,6-diethylaniline)
分子式: C21H30N2
分子量: 310.48

名称と別名

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)

名称をさらに表示

4,4'-メチレンビス(2,6-ジエチルアニリン)2,2',6,6'-テトラエチル(4,4'-メチレンジアニリン)ビス(4-アミノ-3,5-ジエチルフェニル)メタン4,4'-メチレンビス(2,6-ジエチルベンゼンアミン)4,4’-メチレンビス（2,6-ジメチルアニリン）4，4’メチレンビス（2，6ジメチルアニリン）4,4′-メチレンビス(2,6-ジエチルアニリン)4,4'-ジアミノ-3,3',5,5'-テトラエチルジフェニルメタン2，2’，6，6’-テトラエチル-4，4’-メチレンジアニリン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

データベース識別子

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

物性

構造計算による物性

XLogP: 5.7
極性表面積: 52 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 6
重原子数: 23
形式電荷: 0
複雑度: 283

実験および物理化学的性質

Physical Description · 2 件

Other Solid

Light brown crystalline solid; [Sigma-Aldrich MSDS]

Collision Cross Section · 1 件

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]

物理化学的性質

融点: 88 · 88-90 °C(lit.)
沸点: 205 °C · 205 °C / 0.5mmHg
比重(密度): 0.9 · 0.90
蒸気圧: 0 Pa · 0Pa at 25℃
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: soluble in Toluene
外見: powder to crystal
酸解離定数(Pka): 4.88 · 4.88±0.25(Predicted)
色: White to Almost white
水溶解度: 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 データベース: 13680 · 13680-35-8(CAS DataBase Reference)
EPAの化学物質情報: 4 · Benzenamine, 4,4'-methylenebis[2,6-diethyl- (13680-35-8)

化学的性質

化学的特性Crystalline Powder

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

法規制情報

Regulatory Information · 4 件

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.

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29215900
risk_code: 22-36/37/38
化審法: (4)-1614
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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

Industry UsesHardener

General Manufacturing Information · 2 件

Paint and Coating Manufacturing

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

応用分野

使用LONZACURE(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.