헥사메틸렌디이소시아네이트
헥사메틸렌다이아이소사이안에이트 · Metyleno-bis-fenyloizocyjanian,헥사메틸렌다이아아이소사이안산(헥사메틸렌디아이소시안산) · 헥사메틸렌다이아이소사이안산(헥사메틸렌디이소시안산) · 헥사메틸렌디이소시아네이트 · 헥사메틸렌 다이아이소사이안에이트 · 1,6-다이아이소사이아나토헥산 · 1,6-헥사메틸렌 다이아이소사이안 산 · 1,6-헥사메틸렌 다이-아이소사이안 산
식별자 및 물리적 특성
| CAS No. | 822-06-0 |
|---|---|
| 분자식 | C8H12N2O2 |
| 평균 분자량 | 168.19 g/mol |
| 단동위원소 질량 | 168.08987763 g/mol |
| SMILES | O=C=NCCCCCCN=C=O |
| InChIKey | RRAMGCGOFNQTLD-UHFFFAOYSA-N |
| PubChem CID | 13192 |
| ChEMBL | CHEMBL1896533 |
| ChEBI | CHEBI:53578 |
| EC No. | 212-485-8 |
| DTXSID | DTXSID4024143 |
| 현지명 | 헥사메틸렌디이소시아네이트 |
화학 및 물리적 성질
| XLogP | 3.2 |
|---|---|
| 극성 표면적 | 58.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 169 |
| 녹는점 | -55°C |
| 끓는 점 | 82-85 °C/0.1 mmHg |
| 밀도 | 1.047 g/mL at 20 °C (lit.) 1.047 g/mL at 20 °C |
| 증기압 | 0.05 mm Hg ( 25 °C) |
| 굴절률 | n20/D 1.453 |
| 인화점 | 248 °F |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| 비중 | 1.05 |
| 색상 | 무색투명~미황색 |
| 폭발한계 | 0.9-9.5%(V) |
| 용해도 | 물과 반응 |
| BRN | 956709 |
| 안정성 | 안정적인. 수분에 민감합니다. 타기 쉬운. 강한 산화제, 강염기, 아민, 산과 호환되지 않습니다. 희석 용매 없이 염기가 있는 경우 알코올과 폭발적으로 반응할 수 있습니다. 200C 이상으로 가열하면 중합이 발생할 수 있습니다. |
| InChI | 1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2 |
| InChIKey | RRAMGCGOFNQTLD-UHFFFAOYSA-N |
| SMILES | O=C=NCCCCCCN=C=O |
| LogP(분배 계수) | 3.2 at 20℃ |
| NIST | 1,6-Hexamethylene diisocyanate(822-06-0) |
| EPA | Hexamethylene-1,6-diisocyanate (822-06-0) |
화학적 성질
Hexamethylene diisocyanate is a colorless liquid. Sharp, irritating odor.
안전 및 규제
| 직업 노출 등급(OEB) | D |
|---|---|
| 직업 노출 한계(OEL) | TWA: 0.005 ppm (0.035 mg/m3), Ceiling: 0.020 ppm (0.140 mg/m3) [10-minute] |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | MO1740000 |
| 운송 번호(UN) | UN 2281 |
| 독성 | LD50 orally in Rabbit: 746 mg/kg LD50 dermal Rabbit 570 mg/kg |
| 관세 코드 | 29291090 |
| 위험 문구(R) | 23-36/37/38-42/43-41-34-26-22-39/23/24/25-23/24/25-11 |
| 위험 표시 | T,T+,F |
| 안전 문구(S) | 26-28-38-45-28A-36/37/39-23-36/37-16-7 |
| 포장분류 | II |
| 위험 등급 | 6.1Acute Tox. 1 InhalationAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1CSkin Sens. 1STOT SE 3 |
| 기존화학 물질 | KE-18613 |
| F 고인화성물질 | 10-19-21 |
| 자연 발화 온도 | 454 °C |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| 유해 물질 데이터 | 822-06-0(Hazardous Substances Data) |
| 함량 및 규제정보 | 물질구분: 유독물질혼합물(제품)함량정보: 디이소시안산 헥사메틸렌 및 이를 25% 이상 함유한 혼합물 |
| 유해화학물질 필터링 | 97-1-46 |
용도
개요
This diisocyanate compound is used in the manufacture of various polyurethane products: elastic and rigid foams, paints, lacquers, adhesives, bin ding agents, synthetic rubbers, and elastomeric fibers.
용도
Hexamethylene diisocyanate (HDI) is one of the most common aliphatic disocyanates, It is a monomer used in the production of polyurethane foams and exceptionally high-quality coatings, and is found in some industrial paints and spray painting operations. It is a compound which reacts readily with water and alcohols (Von Burg 1993). It has a vapor pressure of 0.05 mm Hg at room temperature, but can be present in aerosol form allowing a potentially higher exposure to individuals. The HDI-BT trimer is often present for similar industrial uses. It would be expected to have a lower vapor pressure; however, the aerosol form can also be present, allowing potentially higher exposure of HDI-BT to individuals. Hexamethylene diisocyanate reacts slowly with water to form carbon dioxide (HSDB 1996). The base-catalyzed reaction of Hexamethylene diisocyanate with alcohols should be carried out in inert solvents; the reaction may occur with explosive violence in the absence of solvents (NFPA 1994).
일반 설명
A colorless crystalline solid. Toxic by ingestion and is strongly irritating to skin and eyes. 1,6-Diisocyanatohexane is used to make nylon.
제조 및 합성 방법
제조 방법
Hexamethylene diisocyanate (HDI) is prepared by the phosgenation of hexamethylenediamine (section lO.2.2(b)): H2N-(CH2)6-NH2--COCl2-->OCN-(CH2)6-NCOHexamethylene diisocyanate is a liquid with a volatility of the same order as that of tolylene diisocyanate. It is respiratory irritant and also has powerful effects on the skin and eyes. Hexamethylene diisocyanate was one of the first diisocyanates utilized for making polyurethanes, being used to prepare fibres and moulding compounds. These applications are no longer of importance but hexamethylene diisocyanate now finds use mainly in coatings which are more light stable than those based on aromatic isocyanates.