Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4,4""-디이소시아나토-3,3""-디메틸-1,1""-비페닐
3,3'-다이메틸바이페닐-4,4'-다이일다이아이소사이아네이트 · 4,4""-디이소시아나토-3,3""-디메틸-1,1""-비페닐 · 4,4'-디이소시아나토-3,3'-디메틸-1,1'-비페닐 · 3,3'-다이메틸바이페닐-4,4'-다이일 다이아이소사이아네이트 · 3,3'-다이메틸-4,4'-다이페닐렌 다이아이소사이아네이트 · 3,3'-다이메틸-4,4'-바이페닐렌 다이아이소사이아네이트 · 3,3'-다이메틸-4,4'-바이페닐렌 아이소사이아네이트 · 3,3'-다이메틸다이페닐 4,4'-다이아이소사이아네이트
식별자 및 물리적 특성
| CAS No. | 91-97-4 |
|---|---|
| 분자식 | C16H12N2O2 |
| 평균 분자량 | 264.28 g/mol |
| 단동위원소 질량 | 264.08987762 g/mol |
| SMILES | Cc1cc(-c2ccc(N=C=O)c(C)c2)ccc1N=C=O |
| InChIKey | ICLCCFKUSALICQ-UHFFFAOYSA-N |
| PubChem CID | 7072 |
| EC No. | 202-112-7 |
| DTXSID | DTXSID7041463 |
| 현지명 | 4,4""-디이소시아나토-3,3""-디메틸-1,1""-비페닐 |
화학 및 물리적 성질
| XLogP | 5.9 |
|---|---|
| 극성 표면적 | 58.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 384 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| 녹는점 | 70-72°C |
| 끓는 점 | 195-197°C (667 Pa) |
| 밀도 | 1.197 (80°C) |
| 증기압 | 0.003Pa at 25℃ |
| 굴절률 | 1.5800 (estimate) |
| 인화점 | 218°C |
| 저장 조건 | 0-10°C |
| 용해도 | 톨루엔에 용해됨 |
| 물리적 상태 | 작은 공 |
| 색상 | 흰색에서 거의 흰색 |
| 용해도 | 594.08μg/L at 25℃ |
| LogP(분배 계수) | 6.052 at 25℃ |
| EPA | 3,3'-Dimethyl-4,4'-diphenylene diisocyanate (91-97-4) |
안전 및 규제
| GHS 분류 | DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P203, P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P318, P321, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)H317 (98.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P317, P321, P333+P317, P342+P316, P362+P364, P391, P403, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: 1,1'-Biphenyl, 4,4'-diisocyanato-3,3'-dimethyl-Hazard Traits - Respiratory ToxicityStatus: Active Update: 11-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10067Restricted substance: 3,3'-dimethylbiphenyl-4,4'-diyl diisocyanate |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| 건강 유해성 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| 반응성 그룹 | Isocyanates and Isothiocyanates |
| Reactivity Profile | Isocyanates and thioisocyanates, such as 3,3'-DIMETHYL-4,4'-DIPHENYLENE DIISOCYANATE, are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence, [Wischmeyer(1969)]. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Skin Sens. 1 (98.7%)Respiratory sensitization - Category 1Carc. 2 |
| 소화 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| 응급 처치 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| 비화재 누출 대응 | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]: |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DV3960000 |
| 관세 코드 | 29291090 |
| 기존화학 물질 | 2009-1-587 |
| 함량 및 규제정보 | 물질구분: 유독물질혼합물(제품)함량정보: 4,4'-디이소시아나토-3,3'-디메틸-1,1'-비페닐 및 이를 25% 이상 함유한 혼합물 |
| 유해화학물질 필터링 | 2009-1-587 |
용도
용도
4,4''-Diisocyanato-3,3''-dimethylbiphenyl is used in preparation method of high-thixotropy single-component modified silane polymer sealant comprising thixotropic agent.