2-Bromo-2‘-Acetonaphthone 2-溴代-2-乙酰基萘

CAS 613-54-7 MFCD00004109

化学结构图

613-54-7
SMILES: O=C(CBr)c1ccc2ccccc2c1

化学属性

Mol. FormulaC12H9BrO
Mol. Weight249.10
Melting Point80-85°C
TSCANo
Density1.48
Stability对光线敏感
Boiling Point349.8°C at 760 mmHg
Flash Point99.1°C

别名和识别编码

Chemical Name2-Bromo-2‘-Acetonaphthone
CAS Number613-54-7
Alfabeta NameBROMONAPHTHYLETHANONE 2121()------
MDL NumberMFCD00004109
Synonym 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {LY} 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {} {LY} 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {} {} {LY} 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {} {} {} {LY} 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {} {} {} {} {LY} 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {} {} {} {} {} {LY} 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {} {} {} {} {} {} {LY} 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {} {} {} {} {} {} {} {LY} 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(naphthalen-2-yl)ethan-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(naphthalen-2-yl
PubChem Substance ID87564193
EC Number210-348-7
Reaxys-RN639153
Beilstein Registry Number639153
Chemical Name Translation2-溴代-2-乙酰基萘
InChIKeyYHXHHGDUANVQHE-UHFFFAOYSA-N
LabNetwork Molecule IDLN00148633
InChIInChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
Canonical SMILESBrCC(C1=CC2=CC=CC=C2C=C1)=O
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分类

  • {KO} Ketones
  • {SNA} Building Blocks, C11 to C12, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • B, Bioactive Small Molecules, Building Blocks, C11 to C12, Carbonyl Compounds, Cell Biology, Chemical Synthesis,

相关文献及参考

  • Aldrich MSDS 1 , 226:B / Corp MSDS 1 (1), 495:A / FT-IR 2 (2), 2392:B / FT-IR 1 (2), 22:D / FT-NMR 1 (2), 827:B / IR-Spectra (3), 861:F / IR-Spectra (2), 754:C / NMR-Reference 2 (2), 24:B / RegBook 1 (2), 1635:B / Structure Index 1 , 256:B:4

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • P303+P361+P353+P310+P363
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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+P330+P331
  • P405 Store locked up. 上锁保管。
  • P304+P340
  • P234 Keep only in original container. 只保留在原来的容器中。
  • 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。
  • P304+P340+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
  • P305+P351+P338+P310
  • P301+P330+P331+P310
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes C
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Signal word
UN Number UN 3261 8/PG 2 3261
Safety Statements
  • 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；
  • 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；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
  • 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
  • R34 Causes burns 会导致灼伤
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
Packing GroupII
Hazard Class8
Storage condition 2-8°C {LY} 2-8°C Refrigerator (+4°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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
1
Rotatable Bonds
2
H-bond Donors
0
LogP
3

其他信息

  • MOL 文件:613-54-7.mol
  • Sigma Aldrich:613-54-7(sigmaaldrich)
  • Alfa Aesar:2-(溴乙酰基)萘,98% 2-(Bromoacetyl)naphthalene, 98%(613-54-7)
  • 图谱信息:2-溴代-2-乙酰基萘(613-54-7)红外图谱(IR2) 2-溴代-2-乙酰基萘(613-54-7)核磁图( 13 CNMR) 2-溴代-2-乙酰基萘(613-54-7)质谱(MS) 2-溴代-2-乙酰基萘(613-54-7)核磁图( 1 HNMR) 2-溴代-2-乙酰基萘(613-54-7)红外图谱(IR1)
  • Acros Organics:溴甲基-2-萘乙酮 alpha-Bromo-2'-acetonaphthone, 98%(613-54-7)
  • TCI Shanghai:2-(2-溴乙酰基)萘 2-Bromoacetylnaphthalene,>;96.0%(GC)(613-54-7)
  • 2-溴代-2-乙酰基萘价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1259 2-溴乙酰基萘 2-Bromoacetylnaphthalene 5G 312元 2014/06/02 B1259 2-溴乙酰基萘 2-Bromoacetylnaphthalene 25G 870元 2010/06/21 147480500 2-溴代-2-乙酰基萘 alpha-Bromo-2'-acetonaphthone 98% 50 GR 2066元

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C11 to C12 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones 酮
  6. C10

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