Urea, N-​(phenylmethyl)​- 苄脲

CAS 538-32-9 MFCD00007951

化学结构图

538-32-9
SMILES: NC(=O)NCc1ccccc1

化学属性

Mol. FormulaC8H10N2O
Mol. Weight150.18
Melting Point146-151°C
TSCANo
Boiling Point282.9°C at 760 mmHg
Flash Point124.9°C

别名和识别编码

Chemical NameUrea, N-​(phenylmethyl)​-
Synonym Benzylurea {LY} Benzylurea {} {LY} Benzylurea {} {} {LY} Benzylurea {} {} {} {LY} Benzylurea {} {} {} {} {LY} Benzylurea {} {} {} {} {} {LY} Benzylurea {} {} {} {} {} {} {LY} Benzylurea {} {} {} {} {} {} {} {LY} Benzylurea {} {} {} {} {} {} {} {} {LY} Benzylurea {} {} {} {} {} {} {} {} {} {LY} Benzylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylurea {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylurea {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylurea {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00007951
CAS Number538-32-9
EC Number208-689-1
Merck Number1147
Beilstein Registry Number12(3)2271
PubChem Substance ID10853
Reaxys-RN2208083
Chemical Name Translation苄脲
Wiswesser Line NotationZVMIR
LabNetwork Molecule IDLN00877999
InChIInChI=1S/C8H10N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
Canonical SMILESO=C(N)NCC1=CC=CC=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; urea; 1fragment
  • {SNA} Alphabetic, Analytical Standards, Analytical/Chromatography, B, BA - BH, Building Blocks, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks, Ureas

相关文献及参考

  • 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
  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

RTECSYS1780000
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；
  • S37 Wear suitable gloves 戴适当手套；
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
WGK Germany2
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • 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。
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 450 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 54,188,1935

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2700 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),68,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4410 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),68,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 570 mg/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
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: 11,814,1968

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物烟雾
  • Acros Organics:苄脲 Benzylurea, 93%(538-32-9)
  • 苄脲价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0449 苄脲 Benzylurea 25G 461元 2010/06/21 335200250 苄脲 Benzylurea 98% 25 GR 311元 2010/06/21 355360250 苄脲 Benzylurea 93% 25 GR 431元
  • 储运特性:低温通风低干燥
  • 毒性分级:中毒
  • MOL 文件:538-32-9.mol
  • 急性毒性:口服-大鼠 LD50: 4410 毫克/公斤; 口服-小鼠 LD50: 570 毫克/公斤
  • 图谱信息:苄脲(538-32-9)红外图谱(IR2) 苄脲(538-32-9)核磁图( 1 HNMR) 苄脲(538-32-9)红外图谱(IR1) 苄脲(538-32-9)质谱(MS) 苄脲(538-32-9)Raman光谱 苄脲(538-32-9)核磁图( 13 CNMR)
  • Alfa Aesar:苄基脲,98% Benzylurea, 98%(538-32-9)
  • TCI Shanghai:苄脲 Benzylurea,>;98.0%(T)(538-32-9)
  • Sigma Aldrich:538-32-9(sigmaaldrich)
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. B - Alphabetic
  5. BA - BH - B