기본 정보
- 표준 SMILES
O=C=NCCCCCCN=C=O- InChIKey
RRAMGCGOFNQTLD-UHFFFAOYSA-N- 분자식
- C8H12N2O2
- 평균 분자량
- 168.19 g/mol
- 단동위원소 질량
- 168.08987763
이름 및 식별자
- 우선 이름
- Hexamethylene diisocyanate
- IUPAC
- 1,6-diisocyanatohexane
- 현지명
- 헥사메틸렌디이소시아네이트
- 영어명
- Hexamethylene Diisocyanate
- 분자식
- C8H12N2O2
- 분자량
- 168.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
822-06-0、88357-62-4- PubChem CID
- 13192
- DTXSID
DTXSID4024143- ChEMBL
CHEMBL1896533- ChEBI
CHEBI:53578- UNII
- 0I70A3I1UF
- EC Number
- 212-485-8、618-151-1
- Nikkaji
- J13.123G
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 58.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 169
물리화학적 성질
- 녹는점
- -55 °C · -55°C
- 끓는 점
- 82 · 82-85 °C/0.1 mmHg
- 밀도
- 1.047 g/mL · 1.047 g/mL at 20 °C (lit.) 1.047 g/mL at 20 °C
- 증기압
- 0.05 mm · 0.05 mm Hg ( 25 °C)
- 굴절률
- 20 · n20/D 1.453
- 인화점
- 248 °F · 248 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 물리적 상태
- 액체
- Specific Gravity
- 1.05 · 1.05
- 색상
- 무색투명~미황색
- 폭발한계
- 0.9 · 0.9-9.5%(V)
- 수용성
- 물과 반응
- BRN
- 956709 · 956709
- 안정성
- 200 C · 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
- 3.2 at · 3.2 at 20℃
- NIST
- 1 · 1,6-Hexamethylene diisocyanate(822-06-0)
- EPA
- -1 · Hexamethylene-1,6-diisocyanate (822-06-0)
화학적 성질
Hexamethylene diisocyanate is a colorless liquid. Sharp, irritating odor.
안전 및 규제
안전 데이터
- OEB
- D
- OEL
- TWA: 0.005 ppm (0.035 mg/m3), Ceiling: 0.020 ppm (0.140 mg/m3) [10-minute]
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- MO1740000
- ridadr
- UN 2281
- 독성
- LD50 orally in Rabbit: 746 mg/kg LD50 dermal Rabbit 570 mg/kg
- HS 번호
- 29291090
- risk_code
- 23-36/37/38-42/43-41-34-26-22-39/23/24/25-23/24/25-11
- hazard_code
- T,T+,F
- safety_code
- 26-28-38-45-28A-36/37/39-23-36/37-16-7
- 포장분류
- II
- 위험 등급
- 6.1
- 기존화학 물질
- KE-18613
- F 고인화성물질
- 10-19-21
- 자연 발화 온도
- 454 °C
- Hazard Classifications
- Acute Tox. 1 InhalationAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1CSkin Sens. 1STOT SE 3
- 스토리지 클래스
- 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: 유독물질; 혼합물(제품)함량정보: 디이소시안산 헥사메틸렌 및 이를 25% 이상 함유한 혼합물
- 유해화학물질 필터링
- 97-1-46
화학 및 산업
응용 분야
개요This 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.
용도Hexamethylene 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 설명A colorless crystalline solid. Toxic by ingestion and is strongly irritating to skin and eyes. 1,6-Diisocyanatohexane is used to make nylon.
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.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: A diisocyanate compound with the two isocyanates linked by a hexane-1,6-diyl group.
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