Benzyl chloride 苄基氯

规格: 98%
CAS: 100-44-7
产品编号: H49783
MDL: MFCD00000889
品牌: INFI
Chemical NameBenzyl chloride
CAS Number100-44-7
Synonym (Chloromethyl)benzene (chloromethyl)-Benzene (chloromethyl)-benzen (chloromethyl)benzene 1-Chlormethylbenzol 6-(Chloromethyl)benzene ?-Chlorotoluene A-CHLOROTOLUENE A-Chlortoluol AKO ALPHA-CHLOROTOLUENE Alpha-chlorotoluene BENZYL CHLORIDE Benzene, (chloromethyl)- Benzile Benzile(cloruro di) Benzyl Chloride Benzyl chloride Benzylchlorid Benzyle (chlorure de) C7H7Cl (chloromethyl-benzene) Chloromethylbenzene Chlorophenylmethane NCI-C06360 Phenylmethyl Chloride Phenylmethyl chloride RCRA waste number P028 Toluene, a-chloro- Toluene, α-chloro- Tolyl Chloride {}
PubChem Substance ID87563455
Beilstein Registry Number471308
MDL NumberMFCD00000889
Reaxys-RN471308
Merck Number1129
EC Number202-853-6
Chemical Name Translation氯化苄
Wiswesser Line NotationG1R
LabNetwork Molecule IDLN00196061
InChIInChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
GHS Symbol
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 31 gm/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Vascular - tumors
   Gastrointestinal - tumors
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 76,1231,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 9200 mg/kg/50W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Skin and Appendages - tumors
REFERENCE :
   GANNA2 Gann.  Japanese Journal of Cancer Research.  (Tokyo, Japan)  V.1-75,
   1907-84.  For publisher information, see JJCREP.  Volume(issue)/page/year:
   72,655,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 6,576,1968

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2100 mg/kg/53W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher i

TYPE OF TEST            : LD50 - Let

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 40(1),92,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1231 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB214-270

TYPE OF TEST            : LD50 - Le

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher information, see JCROD7.  Volume(issue)/page/year:
   74,241,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 625 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 44(3),11,1979

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TYPE OF TEST            : DNA damage
TEST SYSTEM             : Human Fibroblast
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 145,209,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 666 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 9(Suppl
   9),1,1987

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 6300 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 58,143,1978

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 400 ppm
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 62,901,1979

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 7900 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    196

TYPE OF TEST

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 79200 nmol/disc
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 58,143,1978

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1 gm/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   JTEHD6 Journal of Toxicology and Environmental Health.  (Hemisphere Pub.,
   1025 Vermont Ave., NW, Washington, DC 20005)  V.1-    1975/76-
   Volume(issue)/page/year: 17,51,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 250 mg/kg
SEX/DURATION            : male 5 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 100,345,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 2500 mg/kg
SEX/DURATION            : male 5 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 100,345,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 11 ug/kg
SEX/DURATION            : female 1-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death

WGK Germany3
Hazard Codes 6.1 T T+
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H331 Toxic if inhaled 吸入中毒
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H350 May cause cancer 可能致癌
  • H318 Causes serious eye damage 严重伤害眼睛
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H340 May cause genetic defects 可能导致遗传性缺陷
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H330 Fatal if inhaled 吸入致命
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H227 Combustible liquid 可燃液体
    Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
    RTECSXS8925000
    Precautionary statements
    • 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。
    • 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。
    • 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。
    • 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。
    • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
    • P301+P330+P331
    • P301+P330+P331+P310
    • P303+P361+P353
    • P304+P340+P310
    • P304+P340+P312
    • P305+P351+P338
    • P305+P351+P338+P310
    • 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。
    • P403+P233
    • P501 Dispose of contents/container to..… 处理内容物/容器.....
      Signal word Danger Warning {} {} {} {} {} {} {} {} {} {} {TCI}
      UN Number 1738 UN 1738 6.1/PG 2 UN1738
      Risk Statements
      • R22 Harmful if swallowed 吞咽有害
      • R23 Toxic by inhalation 吸入有毒
      • R26 Very toxic by inhalation 吸入极毒
      • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
      • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
      • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
      • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
      • R45 May cause cancer 可能致癌
      • R46 May cause inheritable genetic damage 可能引起遗传基因损害
      • R48/22
        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;
        • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
        • 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;
        • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
        • 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);
        • S53 Avoid exposure - obtain special instructions before use 避免接触,使用前获得特别指示说明;
          Storage condition Moisture Sensitive 密封阴凉干燥保存。 0-6°C 充氩保存
          Packing GroupII
          Hazard Class6.1/8
          Warnings 危化品目录(2015)
          Restrict -
        • 制造香料、染料和人造树脂。有机合成。
        • {TRC} Qiu, Z.: J Nat. Gas Chem., 14, 40 (2005); Abdelhalim, M.M. at al.: Steroids, 72, 459 (2007); Elmegeed, Get al.: Eur. J. Med. Chem., 40, 1283 (2005);
        • {ALD} Merck:14,1129
        • {ALFA} Benzyllithium and substituted analogues have proved difficult to generate in a pure state owing to competing Wurtz coupling. Conditions have been described for efficient generation of benzyllithiums from the chlorides using Li naphthalenide in a mixed diethyl ether - THF - petroleum ether solvent system at -95o: J. Chem. Soc., Perkin 1, 185 (1995).
        • {ALFA} Amidocarbonylation with acetamide and a CO/H2 mixture under pressure, in the presence of Co2(CO)8 catalyst, provides a novel route to N-acetyl-DL-phenylalanine: J. Org. Chem., 61, 1842 (1996).
        • {ALD} Merck:14,1129
        • Beilstein:5,292
        • {uni_hamburg} Short: II/24B
        • 100-44-7 H49783 Benzyl chloride
苄基氯

          化学属性

          Mol. FormulaC7H7Cl
          Mol. Weight127
          Refractive index1.5370 to 1.5400
          Boiling Point177-181
          Density1.1
          Melting Point-43
          Flash Point67°C(lit.)
          TSCAYes
          Solubility不溶于水,可混溶于乙醇、氯仿等多数有机溶剂。
          Autoignition Point1085 °F
          Vapor Density4.36 (vs air)
          Vapor Pressure10.3 mmHg ( 60 °C)
          Stability对湿度、光线敏感
          pH-:A
          Danger-Level-
          Redox-

          *以上化合物性质及应用等信息仅供参考