2-isocyanato-1,3-diisopropylbenzene 2-异氰酸酯-1,3-二异丙基苯
CAS 28178-42-9 MFCD00008882
化学结构图
SMILES: CC(C)c1cccc(C(C)C)c1N=C=O
化学属性
| Mol. Formula | C13H17NO |
|---|---|
| Mol. Weight | 203 |
| Density | 0.951 |
| Refractive index | 1.5170 to 1.5210 |
| Flash Point | 107°C(lit.) |
| TSCA | Yes |
| Boiling Point | 117 |
别名和识别编码
| Chemical Name | 2-isocyanato-1,3-diisopropylbenzene |
|---|---|
| Synonym | 1,3-Bis(1-methylethyl)-2-isocyanatobenzene 2,6-Diisopropylphenyl-isocyanat 2,6-Diisopropylphenylisocyanat 2,6-diisopropylphenyl isocyanate 2,6-二异丙基苯异氰酸酯 Benzene, 2-isocyanato-1,3-bis(1-methylethyl)- Isocyanic Acid 2,6-Diisopropylphenyl Ester Isocyanic acid, 2,6-diisopropylphenyl ester {} {} {uni_hamburg} |
| MDL Number | MFCD00008882 |
| EC Number | 248-885-4 |
| CAS Number | 28178-42-9 |
| Beilstein Registry Number | 2645721 |
| PubChem Substance ID | 87560485 |
| Reaxys-RN | 2645721 |
| Chemical Name Translation | 2-异氰酸酯-1,3-二异丙基苯 |
| InChIKey | FEUFNKALUGDEMQ-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN01357623 |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; isocyanate; 1fragment
- {SNA} Bioactive Small Molecules, Building Blocks, Cell Biology, Chemical Synthesis, DIG-DY, Isocyanates, Nitrogen Compounds, Organic Building Blocks
相关文献及参考
- Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
- Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
安全信息
- R22 Harmful if swallowed 吞咽有害
- R26 Very toxic by inhalation 吸入极毒
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
- R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
- R42 May cause sensitisation by inhalation 吸入会产生过敏反应
- S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
- 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；
- 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；
- 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）；
GHS Symbol
- H315 Causes skin irritation 会刺激皮肤
- H330 Fatal if inhaled 吸入致命
- H317 May cause an allergic skin reaction 可能导致皮肤过敏
- H302 Harmful if swallowed 吞食有害
- 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
- H318 Causes serious eye damage 严重伤害眼睛
- 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。
- 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。
- 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。
- P301+P312+P330
- P302+P350
- P302+P352+P332+P313+P362+P364
- P304+P340+P310
- P305+P351+P338
- P305+P351+P338+P310
- P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
- 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
- P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1414 mg/kg TOXIC EFFECTS : Gastrointestinal - changes in structure or function of salivary glands Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory depression REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0530415
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 1260 mg/kg TOXIC EFFECTS : Behavioral - tremor Gastrointestinal - changes in structure or function of salivary glands Lungs, Thorax, or Respiration - dyspnea REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0528440
TYPE OF TEST : LC50 - Lethal concentration, 50 percent kill ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 47 mg/m3/4H TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0191-1160
