Benzyl Chloride 苄基氯
CAS 100-44-7 MFCD00000889
化学结构图
SMILES: ClCc1ccccc1
化学属性
| Mol. Formula | C7H7Cl |
|---|---|
| Mol. Weight | 127 |
| Refractive index | 1.5370 to 1.5400 |
| Boiling Point | 177-181 |
| Density | 1.1 |
| Melting Point | -43 |
| Flash Point | 67°C(lit.) |
| TSCA | Yes |
| Solubility | 不溶于水，可混溶于乙醇、氯仿等多数有机溶剂。 |
| Autoignition Point | 1085 °F |
| Vapor Density | 4.36 (vs air) |
| Vapor Pressure | 10.3 mmHg ( 60 °C) |
| Stability | 对湿度、光线敏感 |
| pH | -:A |
| Danger-Level | - |
| Redox | - |
别名和识别编码
| Chemical Name | Benzyl Chloride |
|---|---|
| CAS Number | 100-44-7 |
| 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 ID | 87563455 |
| Beilstein Registry Number | 471308 |
| MDL Number | MFCD00000889 |
| Reaxys-RN | 471308 |
| Merck Number | 1129 |
| EC Number | 202-853-6 |
| Chemical Name Translation | 苄基氯 |
| Wiswesser Line Notation | G1R |
| LabNetwork Molecule ID | LN00196061 |
| InChI | InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2 |
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分类
- Chemical Synthesis, Others, Protecting and Derivatizing Reagents, Protection and Derivatization, Synthetic Reagents
- {SNA} Aryl, Building Blocks, C7, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
- {Chemicalbook} 农药中间体: 杀菌剂中间体: 有机磷类杀菌剂
- {SNA} Chemical Synthesis, Other Protecting and Derivatizing Reagents, Protecting and Derivatizing Reagents, Protection and Derivatization, Synthetic Reagents
产品应用
- 制造香料、染料和人造树脂。有机合成。
相关文献及参考
- 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);
- Merck:14,1129
- 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).
- 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).
- Merck:14,1129 Beilstein:5,292
- Short: II/24B
安全信息
GHS Symbol
- 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
- 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.....
- 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
- 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；
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
{hTYPE 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
其他信息
- 外观性质:无色液体，有不愉快的刺激性气味。
- 蒸气压:10.3 mm Hg ( 60 °C)
- 用途一:用于有机合成
- Alfa Aesar:苄基氯,99%,stab. Benzyl chloride, 99%, stab.(100-44-7)
- 方法二:1.甲苯连续光氯化法将干燥不含铁质的甲苯加到无铁反应器中，在光照下进行高温氯化。然后分馏氯化产物，即得氯化苄，副产氯化氢用水吸收得盐酸，副产α-二氯甲基苯可经水解作用制成苯甲醛。2.甲苯无光热氯化法甲苯先静置6h以上以除去铁质，再经高位槽送入氯化锅中，以蒸气加热至沸腾后停止加热，通入氯气进行氯化，连续反应制得的氯化苄通过底部溢流管冷却后进入贮槽。3.甲苯在催化剂过氧化物存在下与氯化亚砜反应。4.在氯化锌催化下，苯环氯甲基化。
- Sigma Aldrich:100-44-7(sigmaaldrich)
- 可燃性危险特性:明火可燃;与水、氧化剂
- 可燃。有不愉快的
- {Chemical
- 下游产品:美克洛嗪 --> 柔软剂 DOD --> 6-苄氨基嘌呤 --> α-乙酰氨基对甲苯磺酰氯 --> 苄基三甲基氯化铵 --> N-乙基-N-苄基苯胺 --> N-苄基氯化辛可宁丁 --> O,O-二异丙基硫代磷酸铵 --> 柳酸苄酯 --> 溶解盐SV --> 肉桂酸苄酯 --> 丙酸苄酯 --> 苄醚 --> α-异丁基苯乙醇 --> 2,3-二苯基丙酸 --> 5-苄氧基吲哚-2-甲酸乙酯 --> 助拨剂 O,二甲基苄基苯基氯化铵 --> 大红色基LG --> 丁酸苯甲酯 --> 1-苄基-3-羟基-1H-吲唑 --> 氯化二乙基硬脂酰乙基苄基铵 --> S-苄基硫脲盐酸盐 --> 十四烷基二甲基苄基氯化铵 --> 3-苄氧基苯酚 --> 邻苯二甲酸丁苄酯 --> 农乳 BCH --> S-苄基-L-半胱氨酸 --> 4-苄基吡啶 --> 1-苄氧基-2-甲氧基-4-丙烯基苯 --> 邻苯二甲酸二苄酯 -->
- 用途四:有机合成中间体，广泛用于医药、农药、香料、染料助剂、合成树脂等方面。氯化苄的主要衍生产品如下：（1）苄基步丁胺：氯化苄叔丁胺反应而得。（2）邻苯二甲酸丁苄酯（BBP）：先由邻苯二甲酸酐与丁醇生成苯二甲酸单丁酯，再继续与氢氧化钠生成单丁酯钠盐，钠盐与氯化苄生成BBP。广泛用作PVC塑料制品的主增塑剂。（3）苄醇：氯化苄在碱存在下加热水解而得。是氯化苄的重要衍生物之一。是吨位较大的精细化工产品。芳醇制备的苯甲酸苄酯、乙酸苄酯、丙酸苄酯可用作香料、溶剂等。（4）苄基季胺盐：例如十二烷基二甲基苄基氯化铵（洁而灭）、十二烷基二甲基苄基溴化铵（新洁而灭）。苄基季胺盐阳离子表面活性剂主要用作消毒剂、疏水剂、腐蚀抑制剂、去乳化剂、相转移催化剂。（5）苯乙腈：氯化苄和氰化钠缩合而得，是氯化苄的重要衍生物之一，主要用于农药辛硫磷，乙基稻丰散，医药咳必清、地巴唑的生产。用苯乙腈制备的一系列中间体有很多重要用途。例如苯乙酸、苯乙醛、邻乙苯基苯甲酸、2-氯代苯乙酸乙酯、苯乙胺、α-苯乙酰胺、苯乙酸乙酯、β-苯乙醇。（6）二苯甲烷：氯化苄在铝汞齐催化剂存在下与苯反应而得，用于有机合成材料。二苯甲烷经硝酸氧化制得二苯甲酮，主要用作紫外线吸收剂、医药中间体。（7）对氯氯苄：氯化苄低温氯化而得，用于进一步制备对氯苯甲醇、对氯苯甲醛、对氯苯乙腈、对氯苯甲酸、对氯二苯甲烷、对氯氰苄，主要用于医药生产。（8）二苄基硫醚：氯化苄与硫化钠反应而得，用于有机合成。（9）N-甲基苄胺：氯化苄与-甲胺在苯溶剂中反应制得，用作医药中间体。（10）苄胺：氯化苄与乌洛托品反应、或与氨水反应而得，苄胺与甲醛、甲酸反应合成的N，N-二甲基苄胺，是新洁而灭的原料。（11）二苄胺：氯化苄与液氨在乙醇中反应而得，用于有机合成。（12）S-苄基异硫脲：氯化苄与硫脲缩合而得，用作试剂和有机合成的原料。（13）肉桂酸苄酯：由肉桂酸与氯化苄反应或肉桂酸甲酯与过量的苄醇反应而得，用作香料的定香剂和变调剂。（14）邻羟基苯甲酸苄酯：由氯化苄与邻羟基苯甲酸钠和二甲基亚砜制得，在生产香料中是重要的中间体。（15）苯甲醛：氯化苄酸解或碱解而得，是氯化苄重要的衍生物之一。用于生产肉桂酸、肉桂醛、α-戊基肉桂醛、α-乙基肉桂醛、苯丁烯酮等。
- F:8-19
- 用途二:是制造染料、香料、药物、合成鞣剂、合成树脂等的原料
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