2-(Hydroxymethyl)-2-Nitro-1,3-Propanediol 三羟甲基硝基甲烷

CAS 126-11-4 MFCD00007395

化学结构图

126-11-4
SMILES: O=[N+]([O-])C(CO)(CO)CO

化学属性

Mol. FormulaNO2C(CH2OH)3
Mol. Weight151
Melting Point160
Density1.3136
TSCAYes
Solubility易溶于水，易溶于苯、氯仿、油类。

别名和识别编码

Chemical Name2-(Hydroxymethyl)-2-Nitro-1,3-Propanediol
Synonym 2-(HYDROXYMETHYL)-2-NITRO-1,3-PROPANEDIOL 2-(Hydroxymethyl)-2-nitropropane-1,3-diol 2-(Hydroxymethyl)-2-nitropropanediol 2-Hydroxymethyl-2-nitro-1,3-propanediol 2-Nitro-2-(hydroxymethyl)-1,3-propanediol 2-hydroxymethyl-2-nitropropanediol 2-羟甲基-2-硝基-1,3-丙二醇; Cimcool wafers Isobutylglycerol, nitro- Methane, trimethylolnitro- Nitroisobutylglycerol Nitrotrimethylolmethane Nitrotris-(hydroxymethyl)-methan TRIMETHYLOLNITROMETHANE Tri(h Tri(hydroxymet Tri(hydroxymethyl)nitromet Trihydroxymethylnitromethane Trimethylolnitromethane Tris Nitro Tris nitro Tris(hydroxymethyl)nitromethane cimcoolwafers {} {} {} {} {uni_ha 三羟甲基硝基甲烷
Beilstein Registry Number1768985
PubChem Substance ID87570697
CAS Number126-11-4
EC Number204-769-5
MDL NumberMFCD00007395
Reaxys-RN742427
Merck Number9753
Chemical Name Translation三羟甲基硝基甲烷
Wiswesser Line NotationWNX1Q1Q1Q
LabNetwork Molecule IDLN00195113
InChIInChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2
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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

相关文献及参考

  • Merck 14 ,9753
  • Beil. 1 ,IV,2777
  • Aldrich MSDS 1 , 1816:A / Corp MSDS 1 (2), 3532:C / FT-IR 2 (1), 635:B / FT-IR 1 (1), 403:A / IR-Spectra (3), 237:B / IR-Spectra (2), 210:H / NMR-Reference 2 (1), 354:D / RegBook 1 (1), 439:K / Sax 6 , 1582 / Structure Index 1 , 63:C:7
  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • 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

Precautionary statements
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312+P330
  • P305+P351+P338
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes Xn
RTECSTY7350000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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 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；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KHFZAN Khimiko-Farmatsevticheskii Zhurnal.  Chemical Pharmaceutical Journal.
    For English translation, see PCJOAU.  (V/O Mezhdunarodnaya Kniga, 113095
   Moscow, USSR)  V.1-    1967-  Volume(issue)/page/year: 11(1),73,1977

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IMSUAI Industrial Medicine and Surgery.  (Northbrook, IL)  V.18-42, 1949-73.
    For publisher information, see IOHSA5.  Volume(issue)/page/year: 39,56,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCOC** Pesticide Chemicals Official Compendium, Association of the American
   Pesticide Control Officials, Inc., 1966.  (Topeka, KS)
   Volume(issue)/page/year: -,1198,1966

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - coma
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 22,315,1940

其他信息

  • 方法一:硝基甲烷和甲醛在碱性条件下缩合而得。原料消耗（kg/t）硝基甲烷（≥95%） 634甲醛（≥30%） 2120
  • TCI Shanghai:2-(羟甲基)-2-硝基-1,3-丙二醇 2-(Hydroxymethyl)-2-nitro-1,3-propanediol,>;99.0%(GC)(126-11-4)
  • 外观性质:白色至黄色粉末。
  • Sigma Aldrich:126-11-4(sigmaaldrich)
  • 检测方法:HPLC,NMR,MS
  • MSDS 信息:三(羟甲基)硝基甲烷(126-11-4).msds
  • 用途一:可用作有机合成中间体、增塑剂以及火药原料
  • 下游产品:三羟甲基氨基甲烷
  • 上游原料:硝基甲烷
  • 三(羟甲基)硝基甲烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 H0271 2-(羟甲基)-2-硝基-1,3-丙二醇 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 500G 1380元 2011/04/16 H0271 2-(羟甲基)-2-硝基-1,3-丙二醇 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 25G 230元 2010/05/25 L13349 三（羟甲基）硝基甲烷, 95% Tris(hydroxymethyl)nitromethane, 95% 500g 1028元
  • F:4.10
  • 用途二:无生命物体用消毒杀菌剂。用于循工业水系统、切消油、非蛋白胶和浆料中，用以抑制细菌繁殖。药物缓备酸胺中间体。大鼠经口LD50为1900mg/kg，小鼠为1900mg/kg。
  • MOL 文件:126-11-4.mol
  • 图谱信息:三(羟甲基)硝基甲烷(126-11-4)质谱(MS)
  • 三(羟甲基)硝基甲烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0271 2-(羟甲基)-2-硝基-1,3-丙二醇 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 500G 973元 2014/06/02 H0271 2-(羟甲基)-2-硝基-1,3-丙二醇 2-(Hydroxymethyl)-2-nitro-1,3-propanediol 25G 200元 2010/05/25 L13349 三（羟甲基）硝基甲烷, 95% Tris(hydroxymethyl)nitromethane, 95% 500g 1028元
  • Alfa Aesar:三（羟甲基）硝基甲烷,95% Tris(hydroxymethyl)nitromethane, 95%(126-11-4)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Polyols - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acid Salts - Carbonyl Compounds

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