3,4-Dimethylbenzoic Acid 3,4-二甲基苯甲酸

CAS 619-04-5 MFCD00002524

化学结构图

619-04-5
SMILES: Cc1ccc(C(=O)O)cc1C

化学属性

Mol. FormulaC9H10O2
Mol. Weight150
Melting Point164-168
TSCAYes
Appearance 白色粉末或晶体。熔点165-167℃。

别名和识别编码

Chemical Name3,4-Dimethylbenzoic Acid
Synonym 不对称邻二甲苯酸 3,4-Dimethyl-benzoic acid asym.-o-Xylylsäure 3,4-dimethylbenzoic acid 3,4-DIMETHYLBENZOIC ACID RARECHEM AL BO 0330 Benzoic acid, 3,4-dimethyl- 1-Carboxy-3,4-dimethylbenzene 3,4-二甲基苯甲酸 3,4-dimethyl-benzoicaci 3,4-DIMETHYLBENZOICAICD Xylylic acid 3,4-Dimethylbenzoesäure O-XYLENE-4-CARBOXYLIC ACID AKOS BBS-00007820 3,4-二甲基苯酸 Benzoic acid, 3,4-dimethyl- (7CI,8CI,9CI) ASYM-O-XYLYLIC ACID 3,4-Dimethylbenzoic acid
Beilstein Registry Number907267
PubChem Substance ID12073
CAS Number619-04-5
EC Number210-576-7
MDL NumberMFCD00002524
Reaxys-RN907267
Chemical Name Translation3,4-二甲基苯甲酸
InChIKeyOPVAJFQBSDUNQA-UHFFFAOYSA-N
Wiswesser Line NotationQVR C1 D1
LabNetwork Molecule IDLN00238607
InChIInChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)
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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
  • {SNA} Building Blocks, C9, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beil. 9 ,IV,1803
  • FT-IR 1 (2), 208:D / FT-IR 2 (2), 2678:A / IR-Spectra (3), 967:G / IR-Spectra (2), 847:E / NMR-Reference 2 (2), 205:A / RegBook 1 (2), 1799:M / Structure Index 1 , 287:C:8
  • 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: 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

WGK Germany3
RTECSDG8734020
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P332+P313
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P305+P351+P338+P337+P313
Safety Statements
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
  • R22 Harmful if swallowed 吞咽有害
Hazard Codes Xn Xi,Xn
GHS Symbol 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 316 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

其他信息

  • 海关编码:29163900
  • 下游产品:2,5-己酮可可碱 --> 5-羧基-异二氢吲哚 --> 异二氢吲哚-5-甲酸甲酯 --> 3,4-二甲基苯甲酸甲酯
  • Sigma Aldrich:619-04-5(sigmaaldrich)
  • TCI Shanghai:3,4-二甲基苯甲酸 3,4-Dimethylbenzoic Acid,>;99.0%(T)(619-04-5)
  • 图谱信息:3,4-二甲基苯甲酸(619-04-5)核磁图( 1 HNMR) 3,4-二甲基苯甲酸(619-04-5)红外图谱(IR2) 3,4-二甲基苯甲酸(619-04-5)核磁图( 13 CNMR) 3,4-二甲基苯甲酸(619-04-5)质谱(MS) 3,4-二甲基苯甲酸(619-04-5)红外图谱(IR1)
  • 用途一:用作有机合成中间体
  • Alfa Aesar:3,4-二甲基苯甲酸,98% 3,4-Dimethylbenzoic acid, 98%(619-04-5)
  • 3,4-二甲基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 L0731902 Lancaster 100g 1056元 2011/04/16 D1439 3,4-二甲基苯甲酸 3,4-Dimethylbenzoic Acid 25G 603元 2011/04/16 D1439 3,4-二甲基苯甲酸 3,4-Dimethylbenzoic Acid 10G 349元
  • MOL 文件:619-04-5.mol
  • MSDS 信息:3,4-Dimethylbenzoic acid(619-04-5).msds

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

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