β-Anilinoethanol 2-苯氨基乙醇

CAS 122-98-5 MFCD00002832

化学结构图

122-98-5
SMILES: OCCNc1ccccc1

化学属性

Mol. FormulaC8H11NO
Mol. Weight137.182
Density1.094
Refractive index1.5760 to 1.5810
Flash Point>110°C
TSCAYes
Boiling Point278-282°C at 760 mmHg
Melting Point-30 °C
Vapor Density>;1 (vs air)
Vapor Pressure<;0.01 mmHg ( 20 °C)
Solubility53 G/L (20 ºC)
Appearance 无色液体。熔点-30℃,沸点268℃,167℃(2.27kPa),相对密度1.085。微溶于水,易溶于乙醇、乙醚、氯仿。

别名和识别编码

Chemical Nameβ-Anilinoethanol
Synonym 2-(Phenylamino)ethanol {LY} 2-(Phenylamino)ethanol {} {LY} 2-(Phenylamino)ethanol {} {} {LY} 2-(Phenylamino)ethanol {} {} {} {LY} 2-(Phenylamino)ethanol {} {} {} {} {LY} 2-(Phenylamino)ethanol {} {} {} {} {} {LY} 2-(Phenylamino)ethanol {} {} {} {} {} {} {LY} 2-(Phenylamino)ethanol {} {} {} {} {} {} {} {LY} 2-(Phenylamino)ethanol {} {} {} {} {} {} {} {} {LY} 2-(Phenylamino)ethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Phenylamino)ethanol {} {} {} {} {} {} {} {} {} {} {LY} 2-(Phenylamino)ethanol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Phenylamino)ethanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Phenylamino)ethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Phenylamino)ethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Phenylamino)ethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Phenyla
CAS Number122-98-5
EC Number204-588-1
Beilstein Registry Number774672
MDL NumberMFCD00002832
PubChem Substance ID31235
Alfabeta NameANILINOETHANOL 2-
Reaxys-RN774672
Chemical Name Translation2-苯氨基乙醇
Wiswesser Line NotationQ2MR
LabNetwork Molecule IDLN00153903
InChIInChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
Canonical SMILESOCCNC1=CC=CC=C1
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分类

  • {SNA} Amino Alcohols, Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment

相关文献及参考

  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20C Year: 2001 Keyword: organic compounds; vapor pressure ISBN: 3-540-41060-0 ISBN: 978-3-540-41060-7 Internet Resource: DOI:10.1007/b88812 RefComment: VII, 197 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

Signal word Danger
GHS Symbol
WGK Germany1
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;
  • 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);
Risk Statements
  • R24 Toxic in contact with skin 与皮肤接触有毒
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • 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
  • R48/20/21/22
Precautionary statements
  • 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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • 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。
  • P301+P310
  • P302+P350
  • P302+P352
  • P302+P352+P310
  • P302+P352+P310+P361+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P351+P338+P337+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
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • 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.....
RTECSKJ7175000
Packing GroupII
UN Number 2810 UN2810
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H303 May be harmfully swallowed 吞食可能有害
  • H310 Fatal in contact with skin 皮肤接触致命
  • 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
  • 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
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 6.1 T
Warnings IRRITANT
Hazard Class6.1
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPE

TYPE OF TEST            :

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1100 mg/kg
TOXIC EFFECTS :
   Vascular - BP elevation not characterized in autonomic section
REFERENCE :
   85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme
   Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948
    Volume(issue)/page/year: -,111,1948

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 220 mg/kg
TOXIC EFFECTS :
   Vascular - contraction (isolated tissues)
REFERENCE :
   JAMAAP JAMA, Journal of the American Medical Association.  (AMA, 535 N.
   Dearborn St., Chicago, IL 60610)  V.1-    1883-  Volume(issue)/page/year:
   123,761,1943

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2230 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 8/21/1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 137 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 97,1117,1977

Storage condition RT, protect from light {LY} RT, protect from light {} {LY} RT, protect from light {} {} {LY} RT, protect from light {} {} {} {LY} RT, protect from light {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, protect

其他信息

  • 可燃性危险特性:明火, 高温即燃;燃烧产生有毒氮氧化物烟雾
  • Acros Organics:2-苯胺基乙醇/N-苯基乙醇胺 2-Anilinoethanol, 98%(122-98-5)
  • 储运特性:库房通风低温干燥; 与食品原料分开存放
  • 刺激数据:皮肤-兔子 545 毫克 轻度; 眼睛-兔子 20 毫克/24小时 中度
  • Sigma Aldrich:122-98-5(sigmaaldrich)
  • 毒性分级:中毒
  • 图谱信息:N-苯基乙醇胺(122-98-5)红外图谱(IR2) N-苯基乙醇胺(122-98-5)红外图谱(IR1) N-苯基乙醇胺(122-98-5)核磁图( 13 CNMR) N-苯基乙醇胺(122-98-5)质谱(MS)
  • 蒸气密度:>;1 (vs air)
  • 上游原料:氨基苯 --> 曙光红(四溴荧光素)
  • 急性毒性:口服-大鼠 LD50: 2230 毫克/公斤; 腹腔-小鼠 LDL0: 176 毫克/公斤
  • 用途二:用于有机合成、染料中间体
  • Alfa Aesar:N-苯基二乙醇胺,98% N-Phenylethanolamine, 98%(122-98-5)
  • 蒸气压:<;0.01 mm Hg ( 20 °C)
  • 用途一:用作染料中间体
  • 方法一:将46.5g(0.5mol)苯胺、20g(0.25mol)氯乙酸和50ml水混合,加热回流3h。然后用碳酰钠溶液碱化,用水蒸出过量的苯胺,将剩余物减压蒸馏,收集161-163℃(2.13kPa)馏分,得N-羟乙基苯胺22-24g,收率64-70%。
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 用途三:有机合成中间体。
  • MOL 文件:122-98-5.mol
  • 类别:易燃液体
  • N-苯基乙醇胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0466 2-苯氨基乙醇 2-Anilinoethanol 500G 409元 2014/06/02 A0466 2-苯氨基乙醇 2-Anilinoethanol 25G 111元 2010/06/21 168985000 N-苯基乙醇胺 2-Anilinoethanol 98% 500 ML 378元
  • TCI Shanghai:2-苯氨基乙醇 2-Anilinoethanol,>;98.0%(GC)(122-98-5)

系列性分类


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