3-Hydroxybenzoic Acid 间羟基苯甲酸

CAS 99-06-9 MFCD00002506

化学结构图

99-06-9
SMILES: O=C(O)c1cccc(O)c1

化学属性

Mol. FormulaC7H6O3
Mol. Weight138.12
Density1.375
Melting Point201°C
Flash Point220°C
TSCAYes
Solubility略溶于水
Stability对光敏感
Boiling Point346.1°C at 760 mmHg

别名和识别编码

Chemical Name3-Hydroxybenzoic Acid
MDL NumberMFCD00002506
CAS Number99-06-9
EC Number202-726-5
Beilstein Registry Number10,134
Synonym 3-Hydroxybenzoic acid {LY} 3-Hydroxybenzoic acid {} {LY} 3-Hydroxybenzoic acid {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {} {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {} {} {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Hydroxybenzoi
PubChem Substance ID87570634
Chemical Name Translation间羟基苯甲酸
Reaxys-RN508160
Wiswesser Line NotationQVR CQ
LabNetwork Molecule IDLN00196414
InChIInChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
Canonical SMILESOC(C1=CC(O)=CC=C1)=O
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Cell Biology,
  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Vaccinium myrtillus (Bilberry), 细胞生物学, 营养研究
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; alcohol; 1fragment
  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Nutrition Research, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Vaccinium myrtillus (Bilberry)
  • {SNA} Building Blocks,

产品应用

  • 用作杀菌剂、涂料、防腐剂、离子交换剂、增塑剂及医药的中间体，也可用来合成偶氮染料等。

相关文献及参考

  • Short: II/27B
  • Short: IV/1a
  • Beilstein:10,134

安全信息

Signal word
GHS Symbol
WGK Germany3
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；
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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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+P312+P330
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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
RTECSDH1924980
Hazard Codes Xn Xn,Xi Xi
Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   112,53,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   QJPPAL Quarterly Journal of Pharmacy & Pharmacology.  (London, UK)  V.2-21,
   1929-48.  For publisher information, see JPPMAB.  Volume(issue)/page/year:
   19,483,1946

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 400 mg/kg
SEX/DURATION            : female 11 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 38,209,1982

其他信息

  • 所属类别二:农药中间体: 除草剂中间体: 二苯醚类除草剂
  • Sigma Aldrich:99-06-9(sigmaaldrich)
  • 用途五:用作杀菌剂、防腐剂、增塑剂及医药的中间体。也用来合成偶染料。
  • Hazard Note:Irritant
  • 用途六:用作杀菌剂、涂料、防腐剂、离子交换剂、增塑剂及医药的中间体，也可用来合成偶氮染料等。
  • 用途三:间羟基苯甲酸是除草剂氟磺胺草醚的中间体。
  • 间羟基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 LA1362801 3-羟基苯甲酸;间羟基苯甲酸;间羟基安息香酸;间苯酚甲酸 100g 461元 2011/04/16 H0205 3-羟基苯甲酸 3-Hydroxybenzoic Acid 500G 1840元 2011/04/16 H0205 3-羟基苯甲酸 3-Hydroxybenzoic Acid 25G 234元
  • 外观性质:无色晶体。
  • Alfa Aesar:3-羟基苯甲酸,97% 3-Hydroxybenzoic acid, 99%(99-06-9)
  • 用途二:用作偶氮染料中间体，也用于有机合成
  • 上游原料:硫酸 --> 硫酸钠 --> 乙酐 --> 发烟硫酸 --> 氧 --> 间甲酚 --> 苯甲酸 --> 均三甲苯 --> 固体氢氧化钠
  • 方法一:其制备方法过去是以苯甲酸为原料，用硫酸进行磺化，再进一步碱熔，然后酸化得成品。该方法磺化、碱熔腐蚀性强，温度高，操作环境差，现已不用该工艺，而用间甲酚为原料，先与乙酸酐或乙酰氯对羧基进行保护成为乙酸酯，再进一步在催化剂存在下进行空气氧化生成相应的羧酸，再水解得到成品。
  • Acros Organics:间羟基苯甲酸 3-Hydroxybenzoic acid, 99%(99-06-9)
  • 图谱信息:间羟基苯甲酸(99-06-9)核磁图( 13 CNMR) 间羟基苯甲酸(99-06-9)Raman光谱 间羟基苯甲酸(99-06-9)红外图谱(IR1) 间羟基苯甲酸(99-06-9)质谱(MS) 间羟基苯甲酸(99-06-9)红外图谱(IR2) 间羟基苯甲酸(99-06-9)核磁图( 1 HNMR)
  • 易溶于热水，溶于乙醇和乙醚，微溶于冷水，不溶于苯。。半数致死量(大鼠，腹腔)3700mg/kg。有刺激性。
  • MSDS 信息:间羟基苯甲酸(99-06-9).msds
  • 方法三:由苯甲酸经磺化、碱熔、水解而得。
  • 所属类别一:造纸化学品: 间羟基苯甲酸
  • 用途四:本品可用物杀菌剂，防腐剂，增塑剂及医药中间体。亦可用以偶氮染料的合成。
  • TCI Shanghai:3-羟基苯甲酸 3-Hydroxybenzoic Acid,>;98.0%(LC)(T)(99-06-9)
  • 下游产品:氟磺胺草醚 --> 三氟羧草醚 --> 乳氟禾草灵 --> 3-甲氧基苯甲酸 --> 间乙酰苯甲酸 --> 2,4,6-三溴-3-羟基苯甲酸 --> 氟磺胺草醚水剂 --> 3,5-二甲基苯甲酰氯
  • MOL 文件:99-06-9.mol
  • 方法二:将122 kg苯甲酸投入反应釜中，在搅拌下加入100 kg发烟硫酸。升温至100 ℃左右，反应2 h左右得间羧基苯磺酸。然后将磺化液转移至碱熔锅内，加入固体氢氧化钠45 kg，升温至熔融，反应4～5 h得间羧基酚钠，加入稀硫酸进行酸性水解。冷却结晶，滤除硫酸钠，滤饼用活性炭脱色即得成品。反应式：
  • 海关编码:29182990
  • 用途一:用作杀菌剂、防腐剂、增塑剂及医药的中间体，也可用来合成偶氮染料

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. C7 - 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. Carboxylic Acids - Carbonyl Compounds
  6. C7 - 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. C6
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)