3,5-Dihydroxybenzoic acid 3,5-二羟基苯甲酸

CAS 99-10-5 MFCD00002512

化学结构图

99-10-5
SMILES: O=C(O)c1cc(O)cc(O)c1

化学属性

Mol. FormulaC7H6O4
Mol. Weight154.12
Density1.559
Melting Point236-238°C
TSCAYes
Solubility84 G/L (20 ºC)
Stability对光敏感
Flash Point200°C
Appearance 白色或浅粉红色针状结晶。熔点232-233℃。溶于乙醇、乙醚、丙酮和热水。与发烟硫酸或热的浓硫酸作用生成紫红色化合物。与氯化铁作用呈葡萄酒色。

别名和识别编码

Chemical Name3,5-Dihydroxybenzoic acid
CAS Number99-10-5
Synonym 3,5-Dihydroxybenzoic acid {LY} 3,5-Dihydroxybenzoic acid {} {LY} 3,5-Dihydroxybenzoic acid {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dihydroxybenzoic acid {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00002512
EC Number202-730-7
Beilstein Registry Number10(4)1501
PubChem Substance ID87567224
Chemical Name Translation3,5-二羟基苯甲酸
Reaxys-RN2207864
Wiswesser Line NotationQVR CQ EQ
LabNetwork Molecule IDLN00193870
InChIInChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
Canonical SMILESO=C(O)C1=CC(O)=CC(O)=C1
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分类

  • Pharmaceuticals
  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • Aromatics
  • Intermediates & Fine Chemicals
  • Metabolites & Impurities

产品应用

  • 有机合成。

相关文献及参考

  • Landberg, R., et al.: J. Cereal. Sci., 48, 401 (2008),
  • Anderson, J., et al.: Proc. Nutr. Soc., 62, 135 (2003),
  • Beilstein: 10,IV,1501
  • Ross, A., et al.: J. Agric. Food Chem., 51, 4111 (2003),

安全信息

Signal word Warning
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;
  • S37 Wear suitable gloves 戴适当手套;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • 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;
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
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。
  • 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+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
RTECSVH3708000
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PMDCAY Progress in Medical Chemistry.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1961- Volume(issue)/page/year:
   5,59,1967

其他信息

  • 上游原料:硫酸 --> 发烟硫酸 --> 苯甲酸
  • 下游产品:3,5-二甲氧基苯甲酸
  • 用途二:用于有机合成
  • 用途一:用作有机合成中间体,用于制药、合成树脂等
  • MSDS 信息:alpha-Resorcylic acid(99-10-5).msds
  • MOL 文件:99-10-5.mol
  • 图谱信息:3,5-二羟基苯甲酸(99-10-5)红外图谱(IR2) 3,5-二羟基苯甲酸(99-10-5)质谱(MS) 3,5-二羟基苯甲酸(99-10-5)核磁图( 1 HNMR) 3,5-二羟基苯甲酸(99-10-5)核磁图( 13 CNMR) 3,5-二羟基苯甲酸(99-10-5)红外图谱(IR1)
  • 方法一:由苯甲酸经磺化、碱熔、酸化而得。将苯甲酸用发烟硫酸在240-250℃磺化5h,生成3,5-二磺酸基苯甲酸,再用氢氧化钠于300℃碱熔,所得反应产物硫酸中和至弱碱性,过滤浓缩后,再酸化至弱酸性,用乙醚提取。提取液回收乙醚所得的粗品用水重结晶即得成品。
  • Hazard Note:Irritant
  • Sigma Aldrich:99-10-5(sigmaaldrich)
  • TCI Shanghai:3,5-二羟基苯甲酸 3,5-Dihydroxybenzoic Acid,>;98.0%(GC)(T)(99-10-5)
  • 3,5-二羟基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xp300012 3,5-二羟基苯甲酸;α-雷琐辛甲酸 5g/瓶 10元 2011/08/23 30063770 3,5-二羟基苯甲酸;α-雷琐辛甲酸 100g 98元 2011/04/16 D2554 3,5-二羟基苯甲酸 3,5-Dihydroxybenzoic Acid 25G 211元
  • 海关编码:29182990
  • 与发烟硫酸或热的浓硫酸作用生成紫红色的化合物,遇三氯化铁会变成粉红色。溶于水、乙醇、乙醚、丙酮。半数致死量(小鼠,静脉)2000mg/kg。有刺激性。从水中结晶含1.5分子结晶水。水中溶解度:84 g/l (20°C)
  • Alfa Aesar:3,5-二羟基苯甲酸,98% 3,5-Dihydroxybenzoic acid, 98%(99-10-5)
  • Acros Organics:3,5-二羟基苯甲酸 3,5-Dihydroxybenzoic acid, 97%(99-10-5)

系列性分类


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