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

28178-42-9
SMILES: CC(C)c1cccc(C(C)C)c1N=C=O

化学属性

Mol. FormulaC13H17NO
Mol. Weight203
Density0.951
Refractive index1.5170 to 1.5210
Flash Point107°C(lit.)
TSCAYes
Boiling Point117

别名和识别编码

Chemical Name2-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 NumberMFCD00008882
EC Number248-885-4
CAS Number28178-42-9
Beilstein Registry Number2645721
PubChem Substance ID87560485
Reaxys-RN2645721
Chemical Name Translation2-异氰酸酯-1,3-二异丙基苯
InChIKeyFEUFNKALUGDEMQ-UHFFFAOYSA-N
LabNetwork Molecule IDLN01357623
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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

RTECSCY8545000
Packing GroupII
UN Number 2810 3382
Risk Statements
  • 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
Safety Statements
  • 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);
Storage condition Moisture Sensitive 0-10 0-10°C
GHS Symbol
WGK Germany2
Hazard statements
  • 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
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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。
  • 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.....
Signal word Danger
Hazard Codes 6.1 T+
Hazard Class6.1
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

系列性分类


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