1,3-Dichloro-5,5-dimethylhydantoin 1,3-二氯-5,5-二甲基海因

CAS 118-52-5 MFCD00003190

化学结构图

118-52-5
SMILES: CC1(C)C(=O)N(Cl)C(=O)N1Cl

化学属性

Mol. FormulaC5H6Cl2N2O2
Mol. Weight197.02
Melting Point132-134°C
Density1.500
Flash Point174°(345°F)
TSCAYes
Solubility0.21 G/100 ML (25 ºC)
Appearance 1,3-二氯-5,5-二甲基海因(118-52-5)为白色粉末,微溶于水。20°C时1L水溶解1.98g二氯海因,0.1%水溶液的PH值为2.97。容易吸潮,吸潮后部分水解。有轻微的刺激气味。
Stability对湿度敏感
Boiling Point214.7±23.0 °C at 760 mmHg

别名和识别编码

Chemical Name1,3-Dichloro-5,5-dimethylhydantoin
CAS Number118-52-5
Alfabeta NameDICHLORODIMETHYLHYDANTOIN 1355---,,
MDL NumberMFCD00003190
Synonym 1,3-Dichloro-5,5-dimethylhydantoin {LY} 1,3-Dichloro-5,5-dimethylhydantoin {} {LY} 1,3-Dichloro-5,5-dimethylhydantoin {} {} {LY} 1,3-Dichloro-5,5-dimethylhydantoin {} {} {} {LY} 1,3-Dichloro-5,5-dimethylhydantoin {} {} {} {} {LY} 1,3-Dichloro-5,5-dimethylhydantoin {} {} {} {} {} {LY} 1,3-Dichloro-5,5-dimethylhydantoin {} {} {} {} {} {} {LY} 1,3-Dichloro-5,5-dimethylhydantoin {} {} {} {} {} {} {} {LY} 1,3-Dichloro-5,5-dimethylhydantoin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dichloro-5,5-dimethylhydantoin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dichloro-5,5-dimethylhydantoin {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dichloro-5,5-dimethylhydantoin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dichloro-5,5-dimethylhydantoin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dichloro-5,5-dimethylhydantoin {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dichloro-5,5-dimet
PubChem Substance ID87568252
EC Number204-258-7
Beilstein Registry Number146013
Reaxys-RN146013
Merck Number3065
Chemical Name Translation1,3-二氯-5,5-二甲基海因
Wiswesser Line NotationT5NVNV EHJ AG CG E1 E1
LabNetwork Molecule IDLN00174798
InChIInChI=1S/C5H6Cl2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3
Canonical SMILESO=C1N(Cl)C(C(C)(C)N1Cl)=O
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Imidazolines/Imidazolidines
  • Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Imidazolines/Imidazolidines
  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; 5ring; urea; amide; lactame; 1fragment

产品应用

  • Reagent involved in:
  • Microwave-assisted aromatization of trisubstituted pyrazolines
  • Asymmetric chlorolactonization chlorenium source
  • Oxidative chlorination for the synthesis of arenesulfonyl chlorides
  • Selective halogenation for the synthesis of halo ketones
  • Chlorination reactions

相关文献及参考

  • Short: III/20a
  • Source of positive chlorine, compare 1,3-Dibromo-5,5-dimethyl­hydantoin, A15510.

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany2
Hazard Codes 5.1 O,C,N Xn,C,O,N
Hazard statements
  • H272 May intensify fire; oxidizer 可能加剧火势;氧化剂。
  • H302 Harmful if swallowed 吞食有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • 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
  • 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
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSMU0700000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P220 Keep/Store away from clothing/…/combustible materials. 保持远离/贮存远离服装/....../可燃材料。
  • P221 Take any precaution to avoid mixing with combustibles/… 采取一切防范措施,避免与可燃物混合/...
  • 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。
  • 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。
  • 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+P330+P331
  • P301+P330+P331+P310
  • P302+P352
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P312
  • P304+P340
  • P304+P340+P310
  • P304+P341
  • 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。
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P333+P313
  • P337+P313
  • P342+P311
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • 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
UN Number 3085 UN1479
Safety Statements
  • S17 Keep away from combustible material 远离可燃物料;
  • 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 Wear suitable protective clothing 穿戴适当的防护服;
  • 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);
  • 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
  • R22 Harmful if swallowed 吞咽有害
  • R31 Contact with acids liberates toxic gas 与酸接触释放出有毒气体
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R50 Very toxic to aquatic organisms 对水生生物极毒
  • R8 Contact with combustible material may cause fire 遇到易燃物会导致起火
Storage condition 2-8°C {LY} 2-8°C Moisture Sensitive {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Packing GroupII
Hazard Class5.1/8
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :

{h

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 1350 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - withdrawal
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 47(6),76,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GWXXBX German Offenlegungsschrift Patent Document.  (U.S. Patent and
   Trademark Office, Foreign Patents, Washington, DC 20231)
   Volume(issue)/page/year: #2550828

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1520 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - withdrawal
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent -

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - rat Embryo
DOSE/DURATION           : 6300 ng/plate
REFERENCE :
   JJATDK JAT, Journal of Applied Toxicology.  (John Wiley & Sons Ltd., Baffins
   Lane, Chichester, W. Sussex PO19 1UD, UK)  V.1-    1981-
   Volume(issue)/page/year: 1,190,1981

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 250 ppm
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 7,677,1985

其他信息

  • 类别:氧化剂
  • Sigma Aldrich:118-52-5(sigmaaldrich)
  • 用途一:主要作为杀菌、灭藻剂,可有效杀灭各种细菌、真菌、病毒、藻类、肝炎病毒等
  • 毒性分级:中毒
  • 灭火剂:二氧化碳,化学干粉、泡沫
  • Acros Organics:1,3-二氯-5,5-二甲基海因 1,3-Dichloro-5,5-dimethylhydantoin(118-52-5)
  • TCI Shanghai:1,3-二氯-5,5-二甲基海因 1,3-Dichloro-5,5-dimethylhydantoin,>;95.0%(T)(118-52-5)
  • 图谱信息:1,3-二氯-5,5-二甲基海因(118-52-5)红外图谱(IR2) 1,3-二氯-5,5-二甲基海因(118-52-5)红外图谱(IR1) 1,3-二氯-5,5-二甲基海因(118-52-5)Raman光谱 1,3-二氯-5,5-二甲基海因(118-52-5)核磁图( 13 CNMR) 1,3-二氯-5,5-二甲基海因(118-52-5)质谱(MS) 1,3-二氯-5,5-二甲基海因(118-52-5)核磁图( 1 HNMR)
  • 1,3-二氯-5,5-二甲基海因价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1783 1,3-二氯-5,5-二甲基海因 1,3-Dichloro-5,5-dimethylhydantoin 500G 701元 2014/06/02 D1783 1,3-二氯-5,5-二甲基海因 1,3-Dichloro-5,5-dimethylhydantoin 25G 150元 2010/06/21 214220050 1,3-二氯-5,5-二甲基海因 1,3-Dichloro-5,5-dimethylhydantoin 5 GR 254元
  • 上游原料:盐酸 --> 次氯酸钠
  • 可燃性危险特性:助燃; 火场释放有毒氯化物, 氮氧化物烟雾
  • 急性毒性:口服-大鼠 LD50: 542 毫克/ 公斤
  • 海关编码:29332100
  • MOL 文件:118-52-5.mol
  • Alfa Aesar:1,3-二氯-5,5-二甲基乙内酰脲,98% 1,3-Dichloro-5,5-dimethylhydantoin, 98%(118-52-5)
  • 储运特性:库房通风低温干燥; 与食品、碱类、氧化剂分开储运
  • 刺激数据:皮肤-兔 500 毫克/24小时 重度
  • 职业标准:TWA 0.2 毫克/立方米; STEL 0.6 毫克/立方米
  • 敏感性:Moisture Sensitive
  • MSDS 信息:1,3-Dichloro-5,5-dimethylhydantoin(118-52-5).msds
  • 升华点:100 °C

系列性分类


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