기본 정보
- CAS
75790-84-0- 표준 SMILES
Cc1ccc(Cc2ccc(N=C=O)cc2)cc1N=C=O- InChIKey
OYVQDJGKYZFGDE-UHFFFAOYSA-N- 분자식
- C16H12N2O2
- 평균 분자량
- 264.28 g/mol
- 단동위원소 질량
- 264.08987763
이름 및 식별자
- 우선 이름
- 5-(p-Isocyanatobenzyl)-o-tolyl isocyanate
- IUPAC
- 2-isocyanato-4-[(4-isocyanatophenyl)methyl]-1-methylbenzene
- 현지명
- 5-(p-이소시아네이토벤질)-o-톨릴이소시아네이트
- 영어명
- 5-(p-isocyanatobenzyl)-o-tolyl isocyanate
- 분자식
- C16H12N2O2
- 분자량
- 264.27868
이름 및 동의어
75790-84-04-Methyldiphenylmethane-3,4-diisocyanate5-(p-Isocyanatobenzyl)-o-tolyl isocyanateEINECS 278-312-32-isocyanato-4-[(4-isocyanatophenyl)methyl]-1-methylbenzeneDTXSID70728303,4'-DIISOCYANATO-4-METHYLDIPHENYLMETHANEBenzene, 2-isocyanato-4-((4-isocyanatophenyl)methyl)-1-methyl-Benzene, 2-isocyanato-4-[(4-isocyanatophenyl)methyl]-1-methyl-2-Isocyanato-4-((4-isocyanatophenyl)methyl)-1-methylbenzeneRefChem:531479DTXCID1047813
이름 더 보기
5-(p-이소시아네이토벤질)-o-톨릴이소시아네이트BENZENE,2-ISOCYANATO-4-((4-ISOCYANATOPHENYL)METHYL)-1-MET.
278-312-3SCHEMBL12783794-Methyldiphenylmethane-3,4-diisocyanate [Diisocyanates]OYVQDJGKYZFGDE-UHFFFAOYSA-NNS000377255-a(p-aIsocyanatobenzyl)a-aO-atolyl Isocyanate
데이터베이스 식별자
- CAS
75790-84-0- PubChem CID
- 62272
- DTXSID
DTXSID7072830- EC Number
- 278-312-3
- Nikkaji
- J319.137K
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 58.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 403
물리화학적 성질
- EPA
- 4 · 4-Methyldiphenylmethane-3,4-diisocyanate (75790-84-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Health HazardsExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Reactive GroupIsocyanates and Isothiocyanates
Reactivity Profile
Isocyanates and thioisocyanates, such as 4-METHYLDIPHENYLMETHANE-3,4-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 ReactionsNo rapid reaction with air. No rapid reaction with water.
안전 및 보호
Fire FightingExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
First AidExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 156 [Substances - Toxic and/or Corrosive (Combustible / Water-Sensitive)]:
Isolation and Evacuation
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzene, 2-isocyanato-4-[(4-isocyanatophenyl)methyl]-1-methyl-: INACTIVE
응용 분야
용도5-(p-Isocyanatobenzyl)-O-tolyl Isocyanate is used in the manufacture of polyurethanes.Environmental toxin on US EPA Toxic Release Inventory list (TRI) list.
공급사1 곳
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