4,4'-메틸렌디아닐린
4,4'-다이아미노다이페닐메테인 · 4,4""-메틸렌디아닐린 · 4,4'-메틸렌디아닐린 · 4,4'-메틸레네다이아닐린 · 4-(4-아미노벤질)아닐린 · 4-(P-아미노벤질)아닐린 · 4,4-다이아미노다이페닐메탄 · 4,4'-디아미노디페닐메탄
식별자 및 물리적 특성
| CAS No. | 101-77-9 |
|---|---|
| 분자식 | C13H14N2 |
| 평균 분자량 | 198.26 g/mol |
| 단동위원소 질량 | 198.11569846 g/mol |
| SMILES | Nc1ccc(Cc2ccc(N)cc2)cc1 |
| InChIKey | YBRVSVVVWCFQMG-UHFFFAOYSA-N |
| PubChem CID | 7577 |
| ChEMBL | CHEMBL85728 |
| ChEBI | CHEBI:32506 |
| EC No. | 202-974-4 |
| DTXSID | DTXSID6022422 |
| 현지명 | 4,4'-메틸렌디아닐린 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 52 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 157 |
| 녹는점 | 89-91 °C(lit.) |
| 끓는 점 | 242 °C2 mm Hg(lit.) |
| 밀도 | 1.15 |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.5014 (estimate) |
| 인화점 | 430 °F |
| 용해도 | 물에 용해 |
| pKa(산도 계수) | 5.32±0.25(Predicted) |
| 색상 | 흰색에서 밝은 노란색 |
| 용해도 | 약간 용해됨. 19ºC에서 <0.1g/100mL |
| 비열 | Cp(crystal): 1.37 J/(g·K), at 25℃ |
| Merck | 14,2980 |
| BRN | 474706 |
| 헨리 상수 | 1.9×105 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2 |
| InChIKey | YBRVSVVVWCFQMG-UHFFFAOYSA-N |
| SMILES | Nc1ccc(Cc2ccc(N)cc2)cc1 |
| LogP(분배 계수) | 1.55 at 25℃ |
| NIST | Benzenamine, 4,4'-methylenebis-(101-77-9) |
| EPA | 4,4'-Methylenedianiline (101-77-9) |
화학적 성질
4,4-Diaminodiphenylmethane is a pale yellow crystalline solid (turns light brown on contact with air) with a faint amine-like odor that is unstable in the presence of light or air and emits toxic fumes of aniline and nitrogen oxides when heated to decomposition. 4,4'-Methylenedianiline is primarily used in industry as a chemical intermediate in the production of 4,4-methylenedianiline diisocyanates and polyisocyanates, but is also used as a cross-linking agent for the determination of tungsten and sulfates, and as a corrosion inhibitor. Exposure to this substance irritates the skin and eyes and causes liver damage. 4,4'-Methylenedianiline is reasonably anticipated to be a human carcinogen. (NCI05)
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | BY5425000 |
| 운송 번호(UN) | UN 2651 |
| 독성 | LD50 oral in rabbit: 620mg/kg |
| 관세 코드 | 29215900 |
| 위험 문구(R) | 45-39/23/24/25-43-48/20/21/22-51/53-68 |
| 위험 표시 | T,N |
| 안전 문구(S) | 53-45-61 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 2Carc. 1BMuta. 2Skin Sens. 1STOT RE 2STOT SE 1 |
| 기존화학 물질 | KE-23803 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| 유해 물질 데이터 | 101-77-9(Hazardous Substances Data) |
| 함량 및 규제정보 | 물질구분: 유독물질혼합물(제품)함량정보: 4,4'-메틸렌디아닐린 및 이를 0.1% 이상 함유한 혼합물 |
| 유해화학물질 필터링 | 2014-1-699 |
| 중점관리물질 필터링 | 별표1-51 |
용도
개요
4,4'-Methylenedianiline is an industrial chemical that is not known to occur naturally. It is also commonly known as diaminodiphenylmethane or MDA. It occurs as a colorless to pale yellow solid and has a faint odor. 4,4'-Methylenedianiline is used mainly for making polyurethane foams, which have a variety of uses, such as insulating materials in mailing containers. It is also used for making coating materials, glues, Spandex fiber, dyes, and rubber. 4,4'-Methylenedianiline is also a by-product of azo dyes. It is also possibly formed by hydrolysis of diphenylmethane-4A'-diisocyanate.
용도
4,4'-methylenedianiline be used as organic intermediates. Mainly used for the synthesis of polyimide and as curing agent of epoxy resin.
일반 설명
A tan flake or lump solid with a faint fishlike odor. May be toxic by inhalation or ingestion, and may be irritating to skin. Insoluble in water.