Trichloroacetonitrile 三氯乙腈

规格: 98%
CAS: 545-06-2
产品编号: H43458
MDL: MFCD00001842
品牌: INFI
Chemical NameTrichloroacetonitrile
CAS Number545-06-2
PubChem Substance ID11011
EC Number208-885-7
Beilstein Registry Number605572
MDL NumberMFCD00001842
Reaxys-RN605572
Merck Number9628
Synonym 2,2,2-Trichloroacetonitrile CCl3CN Chlorocyanohydrin Cyanotrichlormethan Cyanotrichloromethane Cyanotrichloromethane; Trichloromethyl cyanide Nitrile trichloracetique TRIBROMOACETONITRILE TRICHLOROACETONITRILE TRICHLOROACETONITRILE, 1000MG, NEAT Trichlor-acetonitril Trichloracetonitril Trichloressigsäurenitril Trichlormethylkyanid Trichloro acetonitrile Trichloroacetonitrile Trichloroacetonitrile,97% Trichlorocyanomethane Trichloroethanenitrile Trichloromethyl cyanide Trichloromethylnitrile Trichlouracetonitril Trichlroacetonitrile Tritox acetonitrile, trichloro- acetonitrile,trichloro- {uni_ham
Alfabeta NameTRICHLOROACETONITRILE
Chemical Name Translation三氯乙腈
Wiswesser Line NotationNCXGGG
LabNetwork Molecule IDLN00008065
InChIInChI=1S/C2Cl3N/c3-2(4,5)1-6
GHS Symbol
TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 311 ppm/5H
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - lacrimation
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 31,235,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 900 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:
   23,95,1962

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 311 ppm/5H
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - lacrimation
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 31

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 250 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledge

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 3333 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 8(Suppl
   7),1,1986

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 1 umol/L
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB84-246230

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Multiple routes
TEST SYSTEM             : Non-mammalian species
DOSE/DURATION           : 100 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 341,289,1995

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 15 umol/L
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   5,1065,1985

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 825 mg/kg
SEX/DURATION            : female 7-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - weaning or lactation index (e.g., #
   alive at weaning per # alive at day 4)
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 46,83,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 455 mg/kg
SEX/DURATION            : female 6-18 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 38,113,1988

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 97500 ug/kg
SEX/DURATION            : female 6-18 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 38,113,1988

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Roden

WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H301+H311+H331
  • H301+H331
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H318 Causes serious eye damage 严重伤害眼睛
  • H331 Toxic if inhaled 吸入中毒
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
    Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
    Hazard Codes 6.1 T,N
    RTECSAM2450000
    Precautionary statements
    • P101 If medical advice is needed,have product container or label at hand. 如果你想要医药方面的建议,记得随手带上药瓶和标签
    • P201 Obtain special instructions before use. 使用前获取专门指示。
    • 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。
    • 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。
    • 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。
    • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
    • P301+P310
    • P301+P310+P330
    • P301+P312
    • P302+P350
    • P302+P352
    • P302+P352+P312+P362+P364
    • P304+P340
    • P304+P340+P311
    • P305+P351+P338
    • P305+P351+P338+P337+P313
    • P308+P313
    • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
    • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/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。
    • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
    • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
    • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
    • P330 Rinse mouth. 漱口
    • P332+P313
    • P337+P313
    • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
    • 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。
    • 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
      Safety Statements
      • 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
        • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
        • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
        • R51/53
          UN Number 3276 UN 3276 6.1/PG 3 UN3276
          Packing GroupIII
          Warnings 危化品目录(2015) IRRITANT
          Hazard Class6.1
          Storage condition 0-6°C
          Restrict 危险品
        • 用作杀虫剂。
        • {ALFA} In the presence of a base, e.g DBU, reacts with alcohols to form trichloroacetimidates, which are a useful means of protection, readily cleaved by TsOH/MeOH, DBU/MeOH or Zn/NH4Cl: Synlett, 753(1999). These imidates are activated towards displacement by nucleophiles. Glycosyl imidates, formed in the presence of a base such as K2CO3 or DBU, are widely applied as glycosyl donors in oligosaccharide synthesis. Reaction with the free OH of the glycosyl acceptor occurs under mild conditions, promoted by a Lewis acid, e.g. BF3 etherate or TMS-OTf, to form, respectively, either the ß- or ɑ-glycoside as the major product: Angew. Chem. Int. Ed., 25, 212 (1986). For reviews, see: Chem. Rev., 93, 1503 (1993); Adv. Carbohydr. Chem. Biochem., 50, 21 (1994); Contemp. Org. Synth., 3, 173 (1996). The imidates of allylic alcohols, prepared using NaH, or, more conveniently, KOH under phase-transfer conditions: Tetrahedron Lett., 37, 1481 (1996), undergo a [3,3]-sigmatropic rearrangement to derivatives of allylamines: J. Am. Chem. Soc., 96, 597 (1974); 98, 2901 (1976). For an example, see: O
        • {ALF} For a review of the chemistry of trichloroacetonitrile, see: Heterocycles, 43, 1083 (1996).
        • {ALF} The combination with PPh3 is superior to the popular CCl4-PPh3 system for conversion of carboxylic acids to acyl chlorides: Tetrahedron Lett., 40, 5323 (1999). It also converts allylic alcohols to the corresponding chlorides: Russ. J. Org. Chem., 31, 1019 (1995).
        • {ALF} Reacts with hydrogen peroxide, to give, in situ, peroxytrichloroacetamidic acid, a reagent for the epoxidation of alkenes under essentially neutral conditions: J. Org. Chem., 48, 888 (1983).
        • {SA} Merck 14 ,9628
        • {ALD} Merck:14,9628
        • Beilstein:2,212
        • {ALF} In the presence of a base, e.g DBU, reacts with alcohols to form trichloroacetimidates, which are a useful means of protection, readily cleaved by TsOH/MeOH, DBU/MeOH or Zn/NH4Cl: Synlett, 753(1999). These imidates are activated towards displac
        • {ALD} Merck:14,9628
        • 545-06-2 H43458 Trichloroacetonitrile
三氯乙腈

          化学属性

          Mol. FormulaC2Cl3N
          Mol. Weight144
          Refractive index1.4380 to 1.4420
          Boiling Point83-84
          Density1.44
          Melting Point-42
          TSCAYes
          Vapor Pressure58 mmHg ( 20 °C)
          Solubility不溶于水。
          Flash Point195°C(lit.)
          Stability催泪; 对空气敏感
          pH:A

          *以上化合物性质及应用等信息仅供参考