메틸렌 디(비스)페닐 2,4""-디이소시아네이트

2,4'-Diphenylmethane diisocyanate

HCID 62593CAS 39420-98-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C=Nc1ccc(Cc2ccccc2N=C=O)cc1
InChIKey: LFSYUSUFCBOHGU-UHFFFAOYSA-N
분자식: C15H10N2O2
평균 분자량: 250.25 g/mol
단동위원소 질량: 250.07422756

이름 및 식별자

우선 이름: 2,4'-Diphenylmethane diisocyanate
IUPAC: 1-isocyanato-2-[(4-isocyanatophenyl)methyl]benzene
현지명: 메틸렌 디(비스)페닐 2,4""-디이소시아네이트
영어명: 2 4'-Methylenebis(phenyl isocyanate)
분자식: C15H10N2O2
분자량: 250.25

이름 및 동의어

5873-54-1o-(p-Isocyanatobenzyl)phenyl isocyanateBenzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]-2,4'-Diisocyanatodiphenylmethane1-isocyanato-2-[(4-isocyanatophenyl)methyl]benzene2,4'-Diphenylmethane diisocyanateDiphenylmethane-2,4'-diisocyanate2,4'-DiphenylmethanediisocyanteYVQ6NX5H3YEINECS 227-534-9CCRIS 8159Benzene, 1-isocyanato-2-((4-isocyanatophenyl)methyl)-

이름 더 보기

메틸렌디(비스)페닐2,4""-디이소시아네이트메틸렌디(비스)페닐2,4'-디이소시아네이트24'-메틸레네비스(페닐이소시아네이트)Diphenylmethane-2,4’-diisocyanate2,4'-Methylenediphenyl Diisocyanate24MDIDiphenylmethan-2,4'-diisocyanatMixture of 4,4'-MDI and 2,4'-MDI

Isocyanic acid, diester with 2,4'-methylenediphenoldiphenylmethane-2,4-diisocyanateEC 227-534-9DIPHENYLMETHANE 2,4'-DIISOCYANATE1-ISOCYANATO-2-((4-ISOCYANATOPHENYL)METHYL)BENZENERefChem:442666Benzene, 1-isocyanato-2-(4-isocyanatophenyl)methyl-1-isocyanato-2-(4-isocyanatobenzyl)benzene

데이터베이스 식별자

CAS: 39420-98-9、5873-54-1
PubChem CID: 62593
DTXSID: DTXSID9027607
UNII: YVQ6NX5H3Y
EC Number: 227-534-9
Nikkaji: J218.114B

물성

구조 계산 물성

XLogP: 5.4
극성 표면적: 58.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 376

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid

물리화학적 성질

녹는점: 36 · 36-40 °C(lit.)
끓는 점: 376.3 · 376.3±35.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
증기압: 0.001 Pa · 0.001Pa at 20℃
인화점: 110 °C · 110 °C
저장 조건: -20 °C · -20°C Freezer, Under inert atmosphere
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 흰색에서 옅은 베이지까지
수용성: 30 μg/L · 30μg/L at 22℃
안정성: 수분에 민감한
EPA: -2 · Diphenylmethane-2,4'-diisocyanate (5873-54-1)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1130) of reports.

Danger

H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Regulatory Information · 6건

Chemical: Benzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]-

Hazard Traits - Respiratory Toxicity

Benzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]- 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: 24-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13684

Restricted substance: 2,4â-Methylenediphenyl diisocyanate

Benzene, 1-isocyanato-2-(4-isocyanatophenyl)methyl-: 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.

Other Safety InformationIMAP assessments - Benzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]-: Environment tier I assessment

Hazard Classes and Categories · 4건

Skin Irrit. 2 (> 99.9%)

Acute toxicity - category 2

Respiratory sensitization - Category 1

Carc. 2

안전 데이터

tsca: TSCA listed
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36
기존화학 물질: KE-21471

화학 및 산업

용도 및 제조

U.S. Production2023: 10,000,000 - <50,000,000 lb

Consumer UsesBinder

Industry UsesOther

General Manufacturing Information · 2건

Plastics Product Manufacturing

Benzene, 1-isocyanato-2-[(4-isocyanatophenyl)methyl]-: ACTIVE

응용 분야

용도2 4''-Methylenebis(phenyl Isocyanate) is a research reagent used for studies on emission behavior of reactive polyurethane hotmelt adhesives.