2,6-Dimethylbenzoic Acid 2,6-二甲基苯甲酸

CAS 632-46-2 MFCD00002483

化学结构图

632-46-2
SMILES: Cc1cccc(C)c1C(=O)O

化学属性

Mol. FormulaC9H10O2
Mol. Weight150.18
Melting Point114-116°C
Density1.422
TSCANo
Boiling Point272.7°C at 760 mmHg
Appearance 类白色或白色粉末。

别名和识别编码

Chemical Name2,6-Dimethylbenzoic Acid
Synonym 2,6-Dimethylbenzoic acid {LY} 2,6-Dimethylbenzoic acid {} {LY} 2,6-Dimethylbenzoic acid {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethylbenzoic acid {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number1863791
PubChem Substance ID12439
CAS Number632-46-2
EC Number211-177-0
MDL NumberMFCD00002483
Reaxys-RN1863791
Alfabeta NameDIMETHYLBENZOICACID 26-,
Chemical Name Translation2,6-二甲基苯甲酸
Wiswesser Line NotationQVR B1 F1
InChIKeyHCBHQDKBSKYGCK-UHFFFAOYSA-N
LabNetwork Molecule IDLN00180777
InChIInChI=1S/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
Canonical SMILESO=C(O)C1=C(C)C=CC=C1C
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分类

  • Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SA} Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beil. 9 ,IV,1798
  • Corp MSDS 1 (1), 1354:A / FT-IR 2 (2), 2669:C / FT-IR 1 (2), 203:A / FT-NMR 1 (2), 1091:A / IR-Spectra (3), 964:F / IR-Spectra (2), 844:H / NMR-Reference 2 (2), 199:D / RegBook 1 (2), 1795:G / Structure Index 1 , 287:A:1 / Vapor Phase 3 , 1329:A
  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: II/27C Title: Diamagnetic Susceptibility and Magnetic Anisotropy of Organic Compounds Author: Kumar, Mahendra; Gupta, Rajni Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27C Year: 2008 Ke

安全信息

Precautionary statements
  • 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。
  • 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。
  • 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。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes Xi
RTECSDG8734010
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S37 Wear suitable gloves 戴适当手套；
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
Warnings IRRITANT 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 178 mg/kg
TOXIC EFFECTS :
   Behavioral - rigidity (including catalepsy)
   Behavioral - muscle contraction or spasticity
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: 11,1020,1968

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 海关编码:29163900
  • 图谱信息:2,6-二甲基苯甲酸(632-46-2)核磁图( 13 CNMR) 2,6-二甲基苯甲酸(632-46-2)核磁图( 1 HNMR) 2,6-二甲基苯甲酸(632-46-2)质谱(MS) 2,6-二甲基苯甲酸(632-46-2)红外图谱(IR2) 2,6-二甲基苯甲酸(632-46-2)红外图谱(IR1)
  • TCI Shanghai:2,6-二甲基苯甲酸 2,6-Dimethylbenzoic Acid,>;98.0%(T)(632-46-2)
  • MSDS 信息:2,6-Dimethylbenzoic acid(632-46-2).msds
  • Acros Organics:2,6-二甲基苯甲酸 2,6-Dimethylbenzoic acid, 99%(632-46-2)
  • 检测方法:HPLC
  • Sigma Aldrich:632-46-2(sigmaaldrich)
  • 2,6-二甲基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D2260 2,6-二甲基苯甲酸 2,6-Dimethylbenzoic Acid 25G 4040元 2014/06/02 D2260 2,6-二甲基苯甲酸 2,6-Dimethylbenzoic Acid 5G 1330元 2010/06/21 169010100 2,6-二甲基苯甲酸 2,6-Dimethylbenzoic acid 99% 10 GR 2417元
  • MOL 文件:632-46-2.mol
  • Alfa Aesar:2,6-二甲基苯甲酸,98+% 2,6-Dimethylbenzoic acid, 98+%(632-46-2)

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. Carboxylic Acids - Carbonyl Compounds
  6. C9 - Carboxylic Acids
  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. Aromatic acids
  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. Carboxylic Acids
  6. C8

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