3-Isopropenyl-alpha,alpha-dimethylbenzyl isocyanate 3-异丙烯基-α,α-二甲基苄基异氰酸酯

CAS 2094-99-7 MFCD00080490

化学结构图

2094-99-7
SMILES: C=C(C)c1cccc(C(C)(C)N=C=O)c1

化学属性

Mol. FormulaC13H15NO
Mol. Weight201.27 g/mol
Refractive index1.5290 to 1.5310
Boiling Point85°C/0.9mmHg(lit.)
Density1.018 g/mL at 25 °C(lit.)
Autoignition Point838 °F
Flash Point124°C(lit.)

别名和识别编码

Chemical Name3-Isopropenyl-alpha,alpha-dimethylbenzyl isocyanate
CAS Number2094-99-7
PubChem Substance ID604152
EC Number402-440-2
MDL NumberMFCD00080490
Synonym 1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene 1-(1-isocyanato-1-methyl-ethyl)-3-isopropenyl-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-Benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzen 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene 2-(3-(Prop-1-en-2-yl)-phenyl)-prop-2-ylisocyanat 2-(3-(Prop-1-en-2-yl)phenyl)prop-2-ylisocyanat 2-(3-(prop-1-en-2-yl)phenyl)-2-yl isocyanate 2-(3-(prop-1-en-2-yl)phenyl)prop-2-yl isocyanate 2-(3-isopropenyl-phenyl)-2-methyl-ethylisocyanate 3-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYL ISOCYANATE 3-ISOPROPENYLCUMYL ISOCYANATE 3-Isopropenyl-alpha,alpha-dimethylbenzyl Isocyanate {} {} {} {} {}
Reaxys-RN2642954
Alfabeta NameISOCYANATOMETHYLETHYLISOPROPENYLBENZENE 1113()------
Chemical Name Translation3-异丙烯基-α,α-二甲基苄基异氰酸酯
Beilstein Registry Number2642954
LabNetwork Molecule IDLN00183779
InChIInChI=1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3
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分类

  • {SNA} Monomers, Polymer Science, Styrene and Functionalized Styrene Monomers, 材料科学
  • {SNA} Materials Science, Monomers, Polymer Science, Styrene and Functionalized Styrene Monomers
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; isocyanate; 1fragment
  • Materials Science, Monomers, Polymer Science, Styrene and Functionalized Styrene Monomers

相关文献及参考

  • FT-IR 2 (2), 3186:B / FT-NMR 1 (2), 1562:C / RegBook 1 (2), 2159:E / Structure Index 1 , 340:D:2
  • Short: IV/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures Internet Resource: DOI:10.1007/b68240 RefComment: VII, 409 pages.
  • Short: ELINCS Title: Sixth publication of Elincs (according to Article 21 of Directive 67/548/EEC) Page: 1-131 Year: 2003 Keyword: European List of Notified Chemical Substances Internet Resource: http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=CELEX:52003DC0642:EN:NOT Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=eli

安全信息

GHS Symbol
WGK Germany2
Hazard Codes T+,N
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • H330 Fatal if inhaled 吸入致命
  • 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
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDA3685000
Precautionary statements
  • 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
  • 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+P330+P331
  • P301+P330+P331+P310
  • P302+P352
  • P302+P361+P354
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P304+P341
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/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）。
  • P333+P313
  • P342+P311
  • P342+P316
  • 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+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 {} {} {} {TCI}
UN Number 2206 UN 2206 6.1/PG 3
Storage condition 0-10 0-10°C
Warnings IRRITANT
Packing GroupII
Safety Statements
  • S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时，佩带适当的呼吸器；
  • S7 Keep container tightly closed 保存在严格密闭容器中；
  • S15 Keep away from heat 远离热源；
  • 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）；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • 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；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • 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；
Risk Statements
  • R50/53
  • R26 Very toxic by inhalation 吸入极毒
  • R42/43
  • R48/20
  • R34 Causes burns 会导致灼伤
Hazard Class6.1 
TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 750 mg/m3/1H
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
   Lungs, Thorax, or Respiration - chronic pulmonary edema
   Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,43,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3100 ug/kg
TOXIC EFFECTS :
   Gastrointestinal - gastritis
   Gastrointestinal - other changes
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0546191

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >2 gm/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: OTS0546191

其他信息

  • 3-异丙基-二甲基苄基异氰酸酯TMI价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0431 异氰酸3-异丙基-α,α-二甲基苄酯 3-Isopropenyl-alpha,alpha-dimethylbenzyl Isocyanate 25ML 228元 2011/04/16 I0431 异氰酸3-异丙基-α,α-二甲基苄酯 3-Isopropenyl-alpha,alpha-dimethylbenzyl Isocyanate 500ML 1590元
  • 上游原料:盐酸 --> 乙酸乙酯 --> 甲醇 --> 四氢呋喃 --> 二氯甲烷 --> 甲苯 --> 异丙醇 --> 碘甲烷 --> 镁 --> 锌粉 --> 甲酸 --> 乙醇钠 --> 溴甲烷 --> 四氯化钛 --> 对甲苯磺酰胺 --> 二溴甲烷 --> 氰酸钾 --> 间苯二甲酸二乙酯
  • Sigma Aldrich:2094-99-7(sigmaaldrich)
  • MOL 文件:2094-99-7.mol
  • TCI Shanghai:3-异丙基-二甲基苄基异氰酸酯 3-Isopropenyl-alpha,alpha-dimethylbenzyl Isocyanate,>;95.0%(GC)(2094-99-7)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanates - Nitrogen Compounds
  1. Materials Science 材料科学
  2. Products for Polymer Science Research
  3. Monomers - Polymer Science
  4. Styrene and Functionalized Styrene Monomers - Monomers
  1. Functional Group 官能团索引
  2. isocyanate

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