基本情報
- CAS
75790-84-0- 標準SMILES
Cc1ccc(Cc2ccc(N=C=O)cc2)cc1N=C=O- InChIKey
OYVQDJGKYZFGDE-UHFFFAOYSA-N- 分子式
- C16H12N2O2
- 平均分子量
- 264.28 g/mol
- 単同位体質量
- 264.08987763
名称と識別子
- 優先名称
- 5-(p-Isocyanatobenzyl)-o-tolyl isocyanate
- IUPAC
- 2-isocyanato-4-[(4-isocyanatophenyl)methyl]-1-methylbenzene
- 現地名
- 2-イソシアナト-4-[(4-イソシアナトフェニル)メチル]-1-メチルベンゼン
- 英語名
- 5-(p-isocyanatobenzyl)-o-tolyl isocyanate
- 分子式
- C16H12N2O2
- 分子量
- 264.27868
名称と別名
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
名称をさらに表示
2-イソシアナト-4-[(4-イソシアナトフェニル)メチル]-1-メチルベンゼン4-メチルジフェニルメタン-3,4-ジイソシアネートBENZENE,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
データベース識別子
- CAS
75790-84-0
物性
構造計算による物性
- XLogP
- 5.8
- 極性表面積
- 58.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 4
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 403
物理化学的性質
- EPAの化学物質情報
- 4 · 4-Methyldiphenylmethane-3,4-diisocyanate (75790-84-0)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
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.
安全と保護具
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
化学と産業
用途と製造
General Manufacturing InformationBenzene, 2-isocyanato-4-[(4-isocyanatophenyl)methyl]-1-methyl-: INACTIVE
応用分野
使用5-(p-Isocyanatobenzyl)-O-tolyl Isocyanate is used in the manufacture of polyurethanes.Environmental toxin on US EPA Toxic Release Inventory list (TRI) list.
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