Isophorone diisocyanate 异佛尔酮二异氰酸酯

CAS 4098-71-9 MFCD00064956

化学结构图

4098-71-9
SMILES: CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1

化学属性

Mol. FormulaC12H18N2O2
Mol. Weight222
Refractive index1.4830 to 1.4850
Boiling Point158-159
Density1.049
Flash Point155°C(lit.)
TSCAYes
Melting Point-60
Solubility<0.1 G/100 ML AT 25 ºC
Stability对热、湿度敏感

别名和识别编码

Chemical NameIsophorone Diisocyanate
Synonym 1,3,3-三甲基-5-异氰酸基-1-异氰酸(基)甲基环己烷 1,3,3-三甲基-5-异氰酸基-1-异氰酸(基)甲基环己烷,IPDI 3-Isocyanatmethyl-3,5,5-trimethylcyclohexylisocyanat 3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate; 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane; IPDI 3-Isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate isophorone di-isocyanate 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-cyclohexan Cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1, Isophorondiisocyanat Isophorone diamine diisocyanate Isophorone diisocyanate ipdi isophorone diisocyanate isophoronediisocyanate,mixtureofstereoisomers 异佛乐酮二异氰酸盐 异佛尔酮二异氰酸酯 异佛尔酮二异氰酸酯(IPDI)
CAS Number4098-71-9
PubChem Substance ID169132
EC Number223-861-6
Beilstein Registry Number2726467
MDL NumberMFCD00064956
Reaxys-RN2726467
Chemical Name Translation异佛尔酮二异氰酸酯
LabNetwork Molecule IDLN00222056
InChIInChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3
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分类

  • {SNA} Isocyanate Monomers, Materials Science, Monomers, Polymer Science
  • {SNA} Isocyanate Monomers, Monomers, Polymer Science, 材料科学

产品应用

  • Isophorone Diisocyanate (mixture of isomers) may be used in the production of polyurethanes and coatings for automotive, flooring, roofing etc.

相关文献及参考

  • FT-IR 2 (1), 1477:C / FT-NMR 1 (1), 1405:C / RegBook 1 (1), 1023:J / Structure Index 1 , 159:C:8

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H302+H312
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H330 Fatal if inhaled 吸入致命
  • H331 Toxic if inhaled 吸入中毒
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes T,N T+,N 6.1
RTECSNQ9370000
Precautionary statements
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P285 In case of inadequate ventilation wear respiratory protection. 在通风不足的情况下,戴呼吸防护。
  • P301+P312
  • P301+P317
  • P301+P330+P331
  • P301+P330+P331+P310
  • P302+P352
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P304+P341
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P354+P338
  • P307+P311
  • P308+P316
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P316
  • P317
  • P319
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗(见本标签上的)。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P333+P313
  • P333+P317
  • P337+P313
  • P337+P317
  • P342+P311
  • P342+P316
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403 Store in a well-ventilated place. 储存在通风良好的地方。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
UN Number 2290
Storage condition Moisture Sensitive 0-10 储存温度2-8℃ 0-10°C 储存温度2-8℃,充氩保存
Risk Statements
  • R51/53
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R42/43
  • R23 Toxic by inhalation 吸入有毒
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时,佩带适当的呼吸器;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
Packing GroupIII
Hazard Class6.1
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0528418

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 1 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0528418

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 123 mg/m3/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85INA8 "Documentation of the Threshold Limit Values and Biological Exposure
   Indices," 5th ed., Cincinnati, OH, American Conference of Governmental
   Industrial Hygienists, Inc., 1986  Volume(issue)/page/year: 5,334(86),1986

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2500 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0528418

TYPE

其他信息

  • 灭火剂:干粉、二氧化碳
  • 上游原料:甲醇 --> 乙酸 --> 氨 --> 苯 --> 氰化钠 --> 镍 --> 光气(无法供) --> 萘烷 --> 异佛尔酮
  • 急性毒性:吸入-大鼠 LC50:123 毫克/立方米/4小时; 口服-大鼠 LD50:2500 毫克/公斤
  • 类别:有毒物质
  • Alfa Aesar:异佛乐酮二异氰酸盐,mixtureofisomers,98% Isophorone diisocyanate, mixture of isomers, 98%(4098-71-9)
  • 是脂肪族异氰酸酯,与羟基、胺等含活泼氢化合物反应,但反应活性比芳香族异氰酸酯低。
  • 毒性分级:中毒
  • 异佛尔酮二异氰酸酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0314 异佛尔酮二异氰酸酯(异构体的混和物) Isophorone Diisocyanate (mixture of isomers) 500ML 792元 2014/06/02 I0314 异佛尔酮二异氰酸酯(异构体的混和物) Isophorone Diisocyanate (mixture of isomers) 25ML 144元 2010/05/25 L13759 异佛乐酮二异氰酸盐, mixture of isomers, 98% Isophorone diisocyanate, mixture of isomers, 98% 500g 981元
  • 外观性质:无色至微黄色液体。
  • MSDS 信息:异佛尔酮二异氰酸酯(4098-71-9).msds
  • 职业标准:TWA 0.045 毫克/立方米; STEL 0.18 毫克/立方米
  • 海关编码:29291090
  • 爆炸物危险特性:与空气混合可爆
  • MOL 文件:4098-71-9.mol
  • 储运特性:库房通风低温干燥; 与含水物品、醇类、胺类分开储运
  • TCI Shanghai:异佛尔酮二异氰酸酯(异构体的混合物) Isophorone Diisocyanate (mixture of isomers),>;99.0%(GC)(4098-71-9)
  • Sigma Aldrich:4098-71-9(sigmaaldrich)
  • 可燃性危险特性:明火可燃; 高热能释出有毒氮氧化物蒸气; 聚合时可放出有毒蒸气
  • 敏感性:Moisture Sensitive

系列性分类