1-Bromooctane 1-溴代正辛烷

CAS 111-83-1 MFCD00000276

化学结构图

111-83-1
SMILES: CCCCCCCCBr

化学属性

Mol. FormulaC8H17Br
Mol. Weight193.12
Density1.118
Refractive index1.4520 to 1.4550
Vapor Density6.7 (vs air)
Boiling Point201 °C at 760 mmHg
Vapor Pressure0.34 mmHg ( 25 °C)
Melting Point-55 °C
Flash Point92°C(lit.)
TSCAYes
Solubility不溶于水，与乙醇、乙醚混溶。
Stability对光敏感

别名和识别编码

Chemical Name1-Bromooctane
MDL NumberMFCD00000276
CAS Number111-83-1
EC Number203-912-9
Beilstein Registry Number1733136
Synonym 1-Bromooctane {LY} 1-Bromooctane {} {LY} 1-Bromooctane {} {} {LY} 1-Bromooctane {} {} {} {LY} 1-Bromooctane {} {} {} {} {LY} 1-Bromooctane {} {} {} {} {} {LY} 1-Bromooctane {} {} {} {} {} {} {LY} 1-Bromooctane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromooctane {} {} {} {} {} {} {} {} {LY} 1-Bromooctane {} {} {} {} {} {} {} {} {} {LY} 1-Bromooctane {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromooctane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromooctane {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromooctane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromooctane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromooctane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromooctane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Bromooctane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID8140
Merck Number6764
Chemical Name Translation1-溴代正辛烷
Reaxys-RN1733136
Wiswesser Line NotationE8
LabNetwork Molecule IDLN00193622
InChIInChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
Canonical SMILESBrCCCCCCCC
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分类

  • {SNA} Alkyl, Building Blocks, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
  • {uni_hamburg} no charge; 1fragment

产品应用

  • 有机合成中间体。

相关文献及参考

  • Merck:14,6764
  • Short: III/20b
  • Short: III/38B
  • Merck:14,6764 Beilstein:1,160
  • Short: II/5
  • Short: IV/16

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
  • 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；
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R50/53
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • 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。
  • P332+P313
  • P302+P352+P332+P313+P362+P364
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P305+P351+P338+P337+P313
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
Hazard statements
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H227 Combustible liquid 可燃液体
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRG8575000
Packing GroupIII
UN Number UN3082
Hazard Codes
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class9 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 8 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   30,470,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4490 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   30,470,1969

其他信息

  • 可燃性危险特性:热分解排出有毒溴化物烟雾
  • 检测方法:GC,MS
  • 毒性分级:低毒
  • 储运特性:库房通风低温干燥; 密闭存储
  • 图谱信息:1-溴辛烷(111-83-1)红外图谱(IR1) 1-溴辛烷(111-83-1)核磁图( 1 HNMR) 1-溴辛烷(111-83-1)Raman光谱 1-溴辛烷(111-83-1)质谱(MS) 1-溴辛烷(111-83-1)核磁图( 13 CNMR)
  • MSDS 信息:1-Bromooctane(111-83-1).msds
  • Alfa Aesar:1-溴辛烷,98+% 1-Bromooctane, 98+%(111-83-1)
  • 海关编码:29033036
  • Sigma Aldrich:111-83-1(sigmaaldrich)
  • 蒸气压:0.34 mm Hg ( 25 °C)
  • 用途一:主要用于有机合成
  • 类别:自燃物质
  • 1-溴辛烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30027926 1-溴代辛烷 100ml 112.3元 2011/04/16 B0626 1-溴辛烷 1-Bromooctane 500ML 328元 2011/04/16 B0626 1-溴辛烷 1-Bromooctane 25ML 124元
  • 急性毒性:口服-大鼠 LD50: 5020 毫克/公斤
  • 下游产品:2-已基十一酸 --> 3',4'-（二辛氧荃）苯甲醛 --> 4-辛基苯甲醛 --> 辛烷磺酸钠 --> 1-辛烷磺酸钠 --> 正-午基醚 --> 1-辛硫醇 --> 2-甲基苯硼酸
  • 用途二:用于有机合成。菌毒清的中间体。 #EndEditable "Content"
  • 不溶于水，和醇、醚混溶。
  • 外观:无色透明液体。
  • 上游原料:正辛醇 --> 菌毒清
  • Acros Organics:1-溴辛烷 1-Bromooctane, 99%(111-83-1)
  • MOL 文件:111-83-1.mol
  • 用途三:1-溴辛烷是生产2,7-二溴-9,9-二辛基芴的原料药。
  • 灭火剂:水,干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 蒸气密度:6.7 (vs air)
  • 常规方法:100ml玻璃瓶包装，外用木箱或纸箱保护。贮存于阴凉、干燥、通风的库房内。
  • 方法一:由辛醇与氢溴酸反应而得。用硫酸将溴化钠完全溶解后，加入正辛醇，加热回流7-8h，冷后用水稀释，分出有机相，依次用水、浓硫酸，水、10%碳酸钠溶液洗涤，用无水硫酸钠干燥。蒸馏196-200℃，或91-93℃（2.93kPa）馏分，即为成品。产率90%以上。 用途：用于有机合成。菌毒清的中间体。 #EndEditable "Content"
  • TCI Shanghai:1-溴辛烷 1-Bromooctane,>;98.0%(GC)(111-83-1)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiadiazoles 噻二唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Alkyl 烷基卤代烃
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Volatiles/ Semivolatiles - Environmental Standards
  6. Alpha Sort - Volatiles/ Semivolatiles
  7. A-B - Alpha Sort
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Alkenyl