3-Chloro-1,2-propanediol, 98%, reference material 3-氯-1,2-丙二醇
CAS 96-24-2 MFCD00004712
化学结构图
SMILES: OCC(O)CCl
化学属性
| Mol. Formula | C3H7ClO2 |
|---|---|
| Mol. Weight | 111 |
| Refractive index | 1.4790 to 1.4830 |
| Boiling Point | 213 |
| Density | 1.322 |
| Flash Point | 137°C(lit.) |
| TSCA | Yes |
| Melting Point | -40 |
| Vapor Pressure | 0.04 mmHg ( 25 °C) |
| Solubility | 可溶 |
| Stability | 对光线敏感 |
别名和识别编码
| Chemical Name | 3-Chloro-1,2-propanediol, 98%, reference material |
|---|---|
| CAS Number | 96-24-2 |
| Synonym | α-Chlorohydrin, Glycerol α-monochlorohydrin, α-Monochlorohydrin |
| PubChem Substance ID | 87565424 |
| EC Number | 202-492-4 |
| Beilstein Registry Number | 635684 |
| MDL Number | MFCD00004712 |
| Merck Number | 2145 |
| Chemical Name Translation | 3-氯-1,2-丙二醇 |
| Wiswesser Line Notation | Q1YQ1G |
| LabNetwork Molecule ID | LN00224059 |
| Reaxys-RN | 635684 |
| InChI | InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2 |
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分类
- {SA} Analytical Standards, Analytical/Chromatography, Building Blocks, Chemical Synthesis, Chromatography, Environmental Standards, Organic Building Blocks, Oxygen Compounds, Pesticides, Pesticides & Metabolites, Polyols, Rodenticides
- {uni_hamburg} no charge; alcohol; racemate; 1fragment
- Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
- {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
产品应用
- 校准仪器和装置；评价方法；工作标准；质量保证/质量控制；其他。
相关文献及参考
- Merck: 14,2145
- Velisek, J., et al.: J. Agric. Food Chem., 28, 1142
- Merck: 14,2145 Beilstein: 1,IV,2484
- Short: II/27B
- Short: III/38B
安全信息
GHS Symbol
- H300 Fatal if swallowed 吞食致命
- H300+H330
- H312 Harmful in contact with skin 皮肤接触有害
- H318 Causes serious eye damage 严重伤害眼睛
- H331 Toxic if inhaled 吸入中毒
- H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- 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。
- P362+P364
- 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。
- 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。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P284 Wear respiratory protection.? 佩戴呼吸保护装置。
- 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。
- P305+P351+P338
- P301+P310+P330
- P337+P313
- 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。
- P308+P311
- P201 Obtain special instructions before use. 使用前获取专门指示。
- P302+P352+P312
- P405 Store locked up. 上锁保管。
- P304+P340+P310
- P403+P233
- R60 May impair fertility 可能降低生殖能力
- R21 Harmful in contact with skin 与皮肤接触有害
- R23/25 Toxic by inhalation and if swallowed 吸入及吞食都有毒
- R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
- 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 Irritating to eyes 刺激眼睛
- R39 Danger of very serious irreversible effects 有非常严重的不可挽回的作用的危险
- R25 Toxic if swallowed 吞咽有毒
- R20/21 Harmful by inhalation and in contact with skin 吸入及与皮肤接触有害
- R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
- S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时，佩带适当的呼吸器；
- S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
- 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）；
- 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；
- 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；
- S39 Wear eye/face protection 戴眼睛/面孔保护装置；
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 34580 mg/kg/72W-C TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Endocrine - thyroid 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: 67,75,1981
TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 125 ppm/4H TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher in
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - species unspecified DOSE/DURATION : 82 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - general anesthetic REFERENCE : AABIAV Annals of Applied Biology. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2
TYPE OF TEST : LC50 - Lethal concentration, 50 percent kill ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >90 ppm/4H TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Gastrointestinal - changes in structure or function of salivary glands Lungs, Thorax, or Respiration - dyspnea REFERENCE : AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 14,250,1956
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 73 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,116,1975
TYPE OF TEST : Sperm Morphology ROUTE OF EXPOSURE : Subcutaneous TEST SYSTEM : Rodent - rat DOSE/DURATION : 40 mg/kg REFERENCE : PAPOAC Patologia Polska. (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1950- Volume(issue)/page/year: 24,419,1973
TYPE OF TEST : Mutation test systems - not otherwise specified ROUTE OF EXPOSURE : Oral TEST SYSTEM : Mammal - species unspecified DOSE/DURATION : 692 mg/kg/30D REFERENCE : FOBGA8 Folia Biologica (Krakow). (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1953- Volume(issue)/page/year: 22,281,
TYPE OF TEST : Mutation test systems - not otherwise specified ROUTE OF EXPOSURE : Intraperitoneal TEST SYSTEM : Non-mammalian species DOSE/DURATION : 396 mg/kg/22D REFERENCE : FOBGA8 Folia Biologica (Krakow). (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1953- Volume(issue)/page/year: 23,149,1975
TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Yeast - Schizosaccharomyces pombe DOSE/DURATION : 300 mmol/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub.
TYPE OF TEST : Mutation in mammalian somatic cells TEST SYSTEM : Rodent - mouse Lymphocyte DOSE/DURATION : 10 mmol/L REFERENCE : PAACA3 Proceedings of the American Association for Cancer Research. (Waverly Press, 428 E. Preston St., Baltimore, MD 21202) V.1- 1954- Volume(issue)/page/year: 21,74,1980
TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Yeast - Schizosaccharomyces pombe DOSE/DURATION : 100 mmol/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 118,213,1983
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE : 13200 ug/kg SEX/DURATION : male 3 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females) REFERENCE : JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 46,401,1976
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE : 150 mg/kg SEX/DURATION : male 10 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands Reproductive - Paternal Effects - other effects on male REFERENCE : IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 16,1278,1978
{hTYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - gerbil DOSE : 750 mg/kg SEX/DURATION : male 50 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - testes, epididymis, sperm duct REFERENCE : IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 13,491,1975
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - domestic DOSE : 625 mg/kg SEX/DURATION
其他信息
- 外观性质:无色粘稠液体,有吸湿性.
- 可燃性危险特性:遇热, 明火可燃; 热分解排出有毒氯化物烟雾
- Acros Organics:3-氯-1,2-丙二醇 3-Chloro-1,2-propanediol, 99+%(96-24-2)
- 图谱信息:3-氯-1,2-丙二醇(96-24-2)核磁图( 13 CNMR) 3-氯-1,2-丙二醇(96-24-2)红外图谱(IR1) 3-氯-1,2-丙二醇(96-24-2)质谱(MS)
- 刺激数据:眼睛- 兔子 100 毫克 重度
- MSDS 信息:3-氯-1,2-丙二醇(96-24-2).msds
- 类别:有毒物品
- F:3
- MOL 文件:96-24-2.mol
- 用途一:主要用作醋酸纤维等的溶剂，还用于制备增塑剂、表面活性剂、染料中间体和药物等
- 方法一:（1）由甘油经氯化而得。将甘油和乙酸加入反应锅，搅拌加热至90-95℃，通干燥的氯化氢气体，至反应液增重至150%（理论值）即为终点。减压蒸馏，得粗品。再分馏，收集128-132℃（1.33-2.67kPa）馏分得3-氯-1,2-丙二醇。（2）由环氧氯丙烷水解而得。将环氧氯丙烷加入反应锅内，搅拌，加入稀硫酸使反应液呈酸性，升温，回流1h，将所得产物减压精馏即得成品。原料消耗定额：环氧氯丙烷（>95%）1200kg/t、硫酸3kg/t。
- Sigma Aldrich:96-24-2(sigmaaldrich)
- 下游产品:羟丙哌嗪 --> 愈创甘油醚 --> 3-氨基-1,2-丙二醇 --> 多索茶碱 --> 3-苯氧基-1,2-丙二醇
- Alfa Aesar:(±)3-氯-1,2-丙烷二醇,98% (+/-)-3-Chloro-1,2-propanediol, 98%(96-24-2)
- 急性毒性:口服- 大鼠 LD50: 26 毫克/ 公斤; 口服- 小鼠 LD50: 160 毫克/ 公斤
- 用途三:用于有机合成。药物喘定的中间体；用作醋酸纤维等的溶剂，也用作增塑剂、表面活性剂、染料的中间体。
- 蒸气压:0.04 mm Hg ( 25 °C)
- 凝固点:-40℃
- 毒性分级:高毒
- 用途二:用作染料中间体
- 储运特性:库房通风低温干燥; 与食品原料、氧化剂分开储运
- 上游原料:环氧氯丙烷 --> 稀硫酸 --> 丙二醇
- 灭火剂:泡沫、干粉、二氧化碳, 雾状水
- 爆炸物危险特性:与过氯酸反应生成灵敏爆炸产物
- 3-氯-1,2-丙二醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 148120010 3-氯-1,2-丙二醇 3-Chloro-1,2-propanediol 99% 1 LT 636元 2010/06/21 148120025 3-氯-1,2-丙二醇 3-Chloro-1,2-propanediol 99% 2.5 LT 1386元 2010/06/21 148120250 3-氯-1,2-丙二醇 3-Chloro-1,2-propanediol 99% 25 ML 196元
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