基本情報
- 標準SMILES
CC(CCN=C=O)CC(C)(C)CN=C=O- InChIKey
ATOUXIOKEJWULN-UHFFFAOYSA-N- 分子式
- C11H18N2O2
- 平均分子量
- 210.27 g/mol
- 単同位体質量
- 210.13682782
概要
2,2,4-trimethylhexamethylene diisocyanate is a yellow liquid.
名称と識別子
- 優先名称
- 1,6-Diisocyanato-2,2,4-trimethylhexane
- IUPAC
- 1,6-diisocyanato-2,2,4-trimethylhexane
- 現地名
- 1,6-ジイソシアナト-2,2,4-トリメチルヘキサン
- 英語名
- 2,2,4-trimethylhexa-1,6-diyl diisocyanate
- 分子式
- C11H18N2O2
- 分子量
- 210.27
名称と別名
1,6-DIISOCYANATO-2,2,4-TRIMETHYLHEXANE16938-22-02,2,4-Trimethylhexamethylene diisocyanate2,2,4-Trimethylhexa-1,6-diyl diisocyanateHexane, 1,6-diisocyanato-2,2,4-trimethyl-2,2,4-Trimethyl-1,6-diisocyanatohexaneX92D8F674PEINECS 241-001-8DTXSID00446022,2,4-trimethyl-1,6-hexamethylene diisocyanate2,2,4-TRIMETHYLHEXANE 1,6-DIISOCYANATERefChem:417587
名称をさらに表示
2,2,4-トリメチル-1,6-ヘキサンジイルジイソシアナート2,2,4-トリメチルヘキサン-1,6-ジイルビスイソシアナート2,2,4-トリメチルヘキサメチレンジイソシアナート2,2,4-トリメチルヘキサンジイソシアナート1,6-ジイソシアナト-2,2,4-トリメチルヘキサン2,2,4-トリメチルヘキサン-1,6-ジイルジイソシアナート(2,2,4-トリメチルヘキサン-1,6-ジイル)ジイソシアナート2,2,4-トリメチルヘキサメチレンジイソシアネート2,2,4-トリメチル-1,6-ジイソシアナトヘキサン2,2,4-Trimethyl-1,6-diisocyanatohexane.2,2,4-Trimethylhexane-1,6-diyldiisocyanate2,2,4-Trimethyl-1,6-hexanediyldiisocyanate(2,2,4-Trimethylhexane-1,6-diyl)diisocyanate2,2,4- Trimethylcyclohexamethylen-1,6-diisocyanat
DTXCID80246021,6-DIISOCYANATO-2,2,4-TRIMETHYLHEXANE, (+-)-32052-51-0Hexane, 1,6-diisocyanato-2,2,4(or 2,4,4)-trimethyl-UNII-X92D8F674P2,2,4-TrimethylhexamethylenediisocyanateSCHEMBL37901SCHEMBL8772830
データベース識別子
- CAS
16938-22-0、32052-51-0- PubChem CID
- 61858
- DTXSID
DTXSID0044602- UNII
- X92D8F674P
- EC Number
- 241-001-8
- Nikkaji
- J27.138A
物性
構造計算による物性
- XLogP
- 4.5
- 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
- 7
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 274
実験および物理化学的性質
Physical Description
2,2,4-trimethylhexamethylene diisocyanate is a yellow liquid.
Liquid
物理化学的性質
- 沸点
- 283.8 · 283.8±23.0 °C(Predicted)
- 比重(密度)
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- 外見
- liquid
- EPAの化学物質情報
- 2 · 2,2,4-Trimethylhexamethylene diisocyanate (16938-22-0)
安全と法規制
GHS分類
GHS Classification
Danger
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Hazard Traits - Respiratory Toxicity
Hexane, 1,6-diisocyanato-2,2,4-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,6-diisocyanato-2,2,4-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2,2,4-trimethylhexamethylene-1,6-di-isocyanate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
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 AlertsWater-Reactive
Reactivity Profile
Isocyanates and thioisocyanates, such as 2,2,4-TRIMETHYLHEXAMETHYLENE 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 ReactionsContact with water or moist air generates toxic and flammable gases (amine and CO2).
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute toxicity - category 3
Acute Tox. 3 *
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 EvacuationExcerpt 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)]:
安全データ
- tsca
- TSCA listed
- 化審法
- 新規公示化学物質（2011年3月31日以前届出）
化学と産業
用途と製造
U.S. Production2023: 694,923 lb
Industry UsesIntermediate
General Manufacturing Information
Paint and Coating Manufacturing
Hexane, 1,6-diisocyanato-2,2,4-trimethyl-: ACTIVE
応用分野
一般的な説明Yellow liquid.
サプライヤー2 社
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
関連反応
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