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

이름 및 식별자

우선 이름: 4,4'-Methylenebis[2,6-diethylaniline]
IUPAC: 4-[(4-amino-3,5-diethylphenyl)methyl]-2,6-diethylaniline
현지명: 4,4′-메틸렌비스(2,6-디에틸아닐린)
영어명: 4,4'-Methylenebis(2,6-diethylaniline)
분자식: C21H30N2
분자량: 310.48

이름 및 동의어

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)

이름 더 보기

4,4′-메틸렌비스(2,6-디에틸아닐린)4,4'-메틸렌비스(2,6-디에틸벤젠아민)4,4'-메틸렌비스(2,6-디에틸벤젠아민)(4,4'-METHYLENEBIS(2,6-DIETHYLBENZENA...4,4'-메틸렌비스(2,6-다이에틸아닐린)4,4'-메틸렌비스(2,6-디에틸아닐린)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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 5.7
극성 표면적: 52 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 6
무거운 원자 수: 23
형식 전하: 0
복잡도: 283

실험 및 물리화학적 성질

Physical Description · 2건

Other Solid

Light brown crystalline solid; [Sigma-Aldrich MSDS]

Collision Cross Section · 1건

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]

물리화학적 성질

녹는점: 88 · 88-90 °C(lit.)
끓는 점: 205 °C · 205 °C / 0.5mmHg
밀도: 0.9 · 0.90
증기압: 0 Pa · 0Pa at 25℃
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 톨루엔에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 4.88 · 4.88±0.25(Predicted)
색상: 흰색에서 거의 흰색
수용성: 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℃
EPA: 4 · Benzenamine, 4,4'-methylenebis[2,6-diethyl- (13680-35-8)

화학적 성질

Crystalline Powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 4건

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%)

규제 정보

Regulatory Information · 4건

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.

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29215900
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36
기존화학 물질: KE-23819
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

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

Industry UsesHardener

General Manufacturing Information · 2건

Paint and Coating Manufacturing

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

응용 분야

용도LONZACURE(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.