1,3-Dibromopropan-2-ol 1,3-二溴丙醇

CAS 96-21-9 MFCD00000216

化学结构图

96-21-9
SMILES: OC(CBr)CBr

化学属性

Mol. FormulaC3H6Br2O
Mol. Weight217.89
Refractive index1.5500 to 1.5530
Boiling Point219°C at 760 mmHg
Density2.136 g/mL at 25 °C(lit.)
Flash Point47°C
Solubility可溶
Appearance 无色或微黄色油状液体。沸点219℃(部分分解),124℃(5kPa),相对密度2.1202(25/4℃),折光率1.5495(25℃)。溶于醇、醚,不溶于水。有特殊气味,久置于空气中会氧化变黄。
Stability对热敏感,光线敏感
Melting Point103-106 °C

别名和识别编码

Chemical Name1,3-Dibromopropan-2-ol
CAS Number96-21-9
PubChem Substance ID87566905
EC Number202-489-8
MDL NumberMFCD00000216
Beilstein Registry Number1(4)1496
Reaxys-RN1732074
Synonym 1,3-Dibromo-2-propanol {LY} 1,3-Dibromo-2-propanol {} {LY} 1,3-Dibromo-2-propanol {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {} {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {} {} {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {} {} {} {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Dibromo-2-propanol {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation1,3-二溴丙醇
Wiswesser Line NotationE1YQ1E
LabNetwork Molecule IDLN00196432
InChIInChI=1S/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H2
Canonical SMILESBrCC(CBr)O
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分类

  • Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
  • {uni_hamburg} no charge; alcohol; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols

产品应用

  • 用作溶剂,用于有机合成。

相关文献及参考

  • Short: EINECS
  • Beilstein:1(4)1496
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany3
Hazard Codes T 3 T;Xn Xn,T
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H351 Suspected of causing cancer 怀疑致癌
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSUB0200000
Precautionary statements
  • 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.....
  • 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
  • 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。
  • P332+P313
  • P301+P310
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P337+P313
  • P308+P313
  • P302+P352+P332+P313+P362+P364
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P303+P361+P353
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P403+P235
  • 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。
  • P305+P351+P338+P337+P313
  • P241+P242+P243
  • P405 Store locked up. 上锁保管。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
Signal word Danger
Safety Statements
  • 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);
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
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
  • R10 Flammable 易燃
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R25 Toxic if swallowed 吞咽有毒
  • R24/25 Toxic in contact with skin and if swallowed 皮肤接触及吞食都有毒
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
UN Number 1987 UN 1987 3/PG 3
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Packing GroupIII
Hazard Class3
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 150 mg/kg
TOXIC EFFECTS :
   Tumorigenic - protects against induction of experimental tumors
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 17,145,1967

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 nmol/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 2,59,1980

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human HeLa cell
DOSE/DURATION           : 1600 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 92,427,1982

其他信息

  • 用途一:作溶剂,用于有机合成。
  • Sigma Aldrich:96-21-9(sigmaaldrich)
  • 溶于醇、醚,不溶于水。有特殊气味,久置于空气中会氧化变黄。
  • 1,3-二溴-2-丙醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0187 1,3-二溴-2-丙醇 1,3-Dibromo-2-propanol 500ML 8650元 2014/06/02 D0187 1,3-二溴-2-丙醇 1,3-Dibromo-2-propanol 25ML 984元 2010/06/21 406540250 1,3-二溴-2-丙醇 1,3-Dibromo-2-propanol 85%, pract. 25 GR 1048元
  • MSDS 信息:1,3-Dibromo-2-propanol(96-21-9).msds
  • 图谱信息:1,3-二溴-2-丙醇(96-21-9)Raman光谱 1,3-二溴-2-丙醇(96-21-9)核磁图( 13 CNMR) 1,3-二溴-2-丙醇(96-21-9)质谱(MS) 1,3-二溴-2-丙醇(96-21-9)红外图谱(IR1)
  • Hazard Note:Harmful
  • Acros Organics:1,3-二溴-2-丙醇 1,3-Dibromo-2-propanol, pract., 85%(96-21-9)
  • 方法一:由甘油与赤磷、溴反应而得。将甘油、赤磷混合均匀,在搅拌下滴加溴,放热反应,温度在80℃左右。溴加完后放置过夜,经减压蒸馏,馏出物以10%海波洗两次,用无水碳酸钠干燥,滤去干燥剂后分馏,收集110-112℃(2.66kPa)馏分即为成品。
  • 上游原料:碳酸钠 --> 硫代硫酸钠 --> 干燥剂
  • MOL 文件:96-21-9.mol
  • TCI Shanghai:1,3-二溴-2-丙醇 1,3-Dibromo-2-propanol,>;95.0%(GC)(96-21-9)

系列性分类


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