3-Aminobenzoic Acid 3-氨基苯甲酸

CAS 99-05-8 MFCD00007795

化学结构图

99-05-8
SMILES: Nc1cccc(C(=O)O)c1

化学属性

Mol. FormulaC7H7NO2
Mol. Weight137.14
Density1.51
Melting Point178-180°C
TSCAYes
Solubility5.9 G/L (15 ºC)
Flash Point150°C
Stability对光敏感
pH:A

别名和识别编码

Chemical Name3-Aminobenzoic Acid
CAS Number99-05-8
Alfabeta NameAMINOBENZOICACID 3-
MDL NumberMFCD00007795
EC Number202-724-4
Beilstein Registry Number471603
Synonym 3-Aminobenzoic acid {LY} 3-Aminobenzoic acid {} {LY} 3-Aminobenzoic acid {} {} {LY} 3-Aminobenzoic acid {} {} {} {LY} 3-Aminobenzoic acid {} {} {} {} {LY} 3-Aminobenzoic acid {} {} {} {} {} {LY} 3-Aminobenzoic acid {} {} {} {} {} {} {LY} 3-Aminobenzoic acid {} {} {} {} {} {} {} {LY} 3-Aminobenzoic acid {} {} {} {} {} {} {} {} {LY} 3-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3
Merck Number421
PubChem Substance ID7419
Reaxys-RN471603
Chemical Name Translation3-氨基苯甲酸
Wiswesser Line NotationZR CVQ
LabNetwork Molecule IDLN00175245
InChIInChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
Canonical SMILESNC1=CC(C(O)=O)=CC=C1
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分类

  • {SNA} Aromatic Amino Acids, Chemical Biology, Chemical Synthesis, Peptide Chemistry, Unnatural Amino Acids & Derivatives
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SNA} Aromatic Amino Acids, Chemical Biology, Chemical Synthesis, Peptide Chemistry, Unnatural Amino Acid Derivatives

产品应用

  • 检验铜。有机合成。制造偶氮染料。

相关文献及参考

  • Merck: 14,421 Beilstein:14(3)992
  • Short: III/35D2
  • Merck: 14,421
  • Short: III/35B

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany2
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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
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+P352
  • 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
RTECSDG1225000
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xn,Xi Xi
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6300 mg/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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - wild bird species
DOSE/DURATION           : 750 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 12,355,1983

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 6,53,1954

其他信息

  • 毒性分级:中毒
  • MOL 文件:99-05-8.mol
  • Acros Organics:3-氨基苯甲酸 3-Aminobenzoic acid, 99+%(99-05-8)
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物烟雾
  • 用途二:医药和染料中间体。用于制造偶氮染料,医药乙碘苯酸和胆影酸,试剂。
  • 上游原料:铁粉 --> Α-球蛋白 --> 氯化钯 --> 苯甲酸钠 --> 间硝基苯甲酸
  • 下游产品:3-甲磺酰胺基苯甲酸 --> 2-三氟甲基-喹啉-7-羧酸 --> 3-氨基-2,4,6-三碘苯甲酸 --> 3-(1H-吡咯-1-基)苯甲酸 --> 喹啉-5-羧酸 --> 直接耐晒黄 G --> 3-氨基苯甲酸甲酯 --> 3-碘苯甲酸 --> 3-氨基苯甲酸乙酯
  • 用途三:检验铜。有机合成。制造偶氮染料。
  • 类别:有毒物品
  • Alfa Aesar:3-氨基苯甲酸,98% 3-Aminobenzoic acid, 98%(99-05-8)
  • TCI Shanghai:3-氨基苯甲酸 3-Aminobenzoic Acid,>;99.0%(T)(99-05-8)
  • 用途一:用作感光、医药中间体
  • 储运特性:库房通风低温干燥
  • 味甜。能升华,但部分分解。水溶液久置空气中变成棕色。与矿酸作用成可溶性盐。易溶于丙酮,溶于沸水、热乙醇、热氯仿,微溶于冷水、冷乙醇和冷氯仿,不溶于苯和汽油。有刺激性。溶解度: 5.9 g/l 水(15°C) ,3g/100g 乙醇,微溶于醚
  • 3-氨基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30007482 间氨基苯甲酸 25g 114元 2011/04/16 A0268 3-氨基苯甲酸 3-Aminobenzoic Acid 25G 216元 2011/04/16 A0268 3-氨基苯甲酸 3-Aminobenzoic Acid 500G 1400元
  • 海关编码:29224995
  • 外观性质:白色或淡黄色针状结晶,味甜。
  • Sigma Aldrich:99-05-8(sigmaaldrich)
  • MSDS 信息:间氨基苯甲酸(99-05-8).msds
  • 急性毒性:口服-小鼠LD50: 6300 毫克/公斤; 腹腔-小鼠LD50: 500 毫克/公斤
  • 方法一:1.间硝基苯甲酸催化加氢将间硝基苯甲酸溶于水中,加热至70℃以下,用10%液碱调节pH值,使pH值大于7。加入2%的活性炭,脱色20-30min,过滤。滤液以10%液碱调节pH8-8.5。向滤液中加入钯炭(即将2%氯化钯溶液缓缓加入水及活性炭的锅中,边加边搅拌,加完后再通氢气而得),加热至40-45℃,通氢至不再吸氢为止。滤去钯炭,得间氨基苯甲酸钠溶液。收率为95%。也可以用镍作催化剂,试验的结果,收率为99.8%;在1000ml烧杯中加入88%间硝基苯甲酸(按100%82.3g)、400ml水,用22%氢氧化钠调pH=6-7,待料液全溶后加入17g阮尼镍,在搅拌下把料液抽到摇摆式高压釜中,分别用氢气、氮气置换两次,再充压至3.92MPa,于压力2.94-3.92MPa、温度130-140℃下反应5h左右,氢压不下降为终点。经过滤、干燥而得成品。2.铁粉还原法在反应罐中加水、盐酸、氯化钠,升温到80℃。加入铁粉,95℃保温30min,分次投入间硝基苯甲酸,在100℃保温1h,冷却至80℃,用碳酸钠中和至pH9以上。于50℃时压滤,用水洗涤泥,得浅棕色还原液。用盐酸调节pH值,或用盐析的方法使间硝基苯甲酸析出,经过滤、干燥而得成品。收率90%。
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 图谱信息:3-氨基苯甲酸(99-05-8)质谱(MS) 3-氨基苯甲酸(99-05-8)红外图谱(IR1) 3-氨基苯甲酸(99-05-8)红外图谱(IR2)

系列性分类


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