4-Aminobenzoic acid 对氨基苯甲酸

CAS 150-13-0 MFCD00007894

化学结构图

150-13-0
SMILES: NC1CCC(C(=O)O)CC1

化学属性

Mol. FormulaC7H7NO2
Mol. Weight137.14
Density1.374
Melting Point186-189°C
TSCAYes
Solubility溶于水。
Stability对空气和光敏感
Boiling Point339.9°C at 760 mmHg

别名和识别编码

Chemical Name4-Aminobenzoic acid
CAS Number150-13-0
Synonym 4-Aminobenzoic acid {LY} 4-Aminobenzoic acid {} {LY} 4-Aminobenzoic acid {} {} {LY} 4-Aminobenzoic acid {} {} {} {LY} 4-Aminobenzoic acid {} {} {} {} {LY} 4-Aminobenzoic acid {} {} {} {} {} {LY} 4-Aminobenzoic acid {} {} {} {} {} {} {LY} 4-Aminobenzoic acid {} {} {} {} {} {} {} {LY} 4-Aminobenzoic acid {} {} {} {} {} {} {} {} {LY} 4-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 4-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Aminobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number471605
PubChem Substance ID978
EC Number205-753-0
MDL NumberMFCD00007894
Reaxys-RN471605
Merck Number423
Chemical Name Translation对氨基苯甲酸
Wiswesser Line NotationZR DVQ
LabNetwork Molecule IDLN00221930
InChIInChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
Canonical SMILESO=C(O)C1=CC=C(N)C=C1
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分类

  • {SNA} A-AM, Aromatic Amino Acids, Bioactive Small Molecules, Cell Biology, Chemical Biology, Chemical Synthesis, Peptide Chemistry, Unnatural Amino Acid Derivatives
  • Analytical Standards, Analytical/Chromatography, Chromatography, Cosmetic Standards, Environmental Standards, UV Blockers, UV blocker, Volatiles/ Semivolatiles
  • {SA} A-AM, Amino acids, Aromatic Amino Acids, Bioactive Small Molecules, Cell Biology, Chemical Biology, Chemical Synthesis,
  • {SNA} A-AM, Amino acids, Aromatic Amino Acids, Bioactive Sm

产品应用

  • 用作测定铜的试剂。用于酯类、叶酸和偶氮染料的合成。

相关文献及参考

  • Merck:14,423
  • Short: II/27B
  • Short: II/27C
  • ########
  • Merck:14,423 Beilstein:14(4)1126

安全信息

Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • 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
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
Signal word Warning
Hazard Codes Xi Xn,Xi
WGK Germany2
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。
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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
  • P301+P312+P330
  • P302+
  • P302+P350
  • P302+P352
  • P302+P352+P333+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • 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）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P333+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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, 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；
  • 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
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
RTECSDG1400000
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 {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 49,184,1942

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >6 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 49,184,1942

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1830 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 10,289,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2850 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - muscle weakness
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 49,184,1942

TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
REFERENCE :
   ATSUDG Archives of Toxicology, Supplement.  (Springer-Verlag New York, Inc.,
   Service Center, 44 Hartz Way, Secaucus, NJ 07094)  No.1-    1978-
   Volume(issue)/page/year: 5,355,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2500 mg/kg
SEX/DURATION            : female 1-22 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   AJANA2 American Journal of Anatomy.  (Alan R. Liss, Inc., 41 E. 11th St.,
   New York, NY 10003) V.1-192, 1901-91.  Volume(issue)/page/year: 110,29,1962

其他信息

  • 上游原料:连二亚硫酸钠 --> 对硝基苯甲酸
  • {
  • 毒性分级:中毒
  • 常规方法:100kg内衬塑料袋、外用铁桶包装。贮存于阴凉、干燥、通风的库房中。防止受热、受潮，避免日光照射。搬运时轻装轻卸，防止包装破损。按一般化学品规定贮运。
  • 对氨基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 31000116 对氨基苯甲酸 100g 105.18元 2011/08/23 31000126 对氨基苯甲酸 100g 91元 2011/08/23 xp400093 对氨基苯甲酸 5g 40元
  • Sigma Aldrich:150-13-0(sigmaaldrich)
  • MSDS 信息:4-氨基苯甲酸(150-13-0).msds
  • 图谱信息:对氨基苯甲酸(150-13-0)Raman光谱 对氨基苯甲酸(150-13-0)红外图谱(IR2) 对氨基苯甲酸(150-13-0)红外图谱(IR1) 对氨基苯甲酸(150-13-0)核磁图( 1 HNMR)
  • {Chemi
  • 方法一:在反应锅内依次加入水、氯化钠、盐酸。开动搅拌并升温至50-60℃，加入9/10量的铁粉，继续升温到98-102℃，保温1h，停止加热，于95℃慢慢加入对硝基苯甲酸，约1-1.5h加完，补加铁粉，在98-102℃保温1h，放冷至80℃，加入30%液碱调节pH=8.5-9，压滤，用少量水洗，滤液与少量洗液合并，压入酸析锅，冷至30-34℃，加入保险粉脱色，过滤。滤液加酸调节pH=3.5-4，继续冷至10℃以下，甩水、干燥即得成品。收率84-88%。（2）由对硝基苯甲酸经催化加氢而得在1000ml烧杯中加入工业品对硝基苯甲酸及水，在搅拌下用22%氢氧化钠调整pH=6-7，然后加阮尼镍，在搅拌下把料液抽入摇摆式高压釜中，分别用氢气、氮气各置换两次、再充压至3.43MPa，在压力3.43-2.54MPa、温度134-140℃下反应5h左右，至氢压不下降为终点。反应结束后过滤、干燥而得成品。收率80%以上。
  • {Chemicalb
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物烟雾
  • 类别:有毒物品
  • 露置空气和光线中变浅黄色。易溶于沸水，能溶于醇、醚、乙酸乙酯及冰乙酸，微溶于水及苯，不溶于石油醚。0.5%溶液的pH值为3.5。半数致死量(小鼠，经口)2850mg/kg。有刺激性。
  • {Ch
  • 用途三:染料和医药中间体。用于生产活性红M-80，M-10B，活性红紫X-2R等染料以及制取氰基苯甲酸生产药物对羧基苄胺。对氨基苯甲酸可用作防晒剂，其衍生物对二甲氨基甲酸辛酯，是优良的防晒剂，商品名称Padimate O.
  • 外观性质:白色粉末。
  • 防护措施:低毒。大鼠经口LD50为6000mg/kg。
  • 用途一:用作医药、染料中间体
  • 下游产品:氨苄青霉素 --> 6-羟甲基喹啉 --> 4-(甲氨基)苯甲酸甲酯 --> 2,6-二氯苯胺 --> 4-氨基苯甲酸甲酯 --> 4-(乙硫基)苯甲酸 --> 4-乙酰氨基苯甲酰氯 --> 甲基橙 --> 活性红棕K-B3r --> 2-甲基-6-喹啉羧酸 --> 苯唑卡因 --> 4-氨甲基苯甲酸 --> 对氰基苯甲酸 --> 分散黄126 --> 喹啉-6-羧酸 --> 2,5-二(4-氨基苯基)噁二唑 --> 4-羧基苯基异硫氰酸酯 --> 4-甲基磺酰胺基苯甲酸 --> 4-氨基苯甲酸丁酯 --> 活性艳红KM-8B --> 对乙酰氨基苯甲酸 --> 4-(N-甲酰基
  • 储运特性:库房通风低温干燥
  • 用途二:用作分析试剂、防晒剂，也用于制药及染料工业
  • 用途四:用作测定铜的试剂。用于酯类、叶酸和偶氮染料的合成。
  • 急性毒性:口服-小鼠LD50: 2850 毫克/公斤; 口服-兔子LD50: 1000 毫克/公斤
  • TCI Shanghai:4-氨基苯甲酸 4-Aminobenzoic Acid,>;99.0%(LC)(T)(150-13-0)
  • 海关编码:29224995

系列性分类

  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Functional Foods - Nutrition Research
  4. Amino acids - Functional Foods
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Peptide Chemistry 多肽化学
  4. Unnatural Amino Acid Derivatives 人工合成氨基酸
  5. Aromatic Amino Acids - Unnatural Amino Acid Derivatives
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Amines - Chemical Class
  5. Aromatics - Amines
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. A - Alphabetic
  5. AM to AQ - A
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Volatiles/ Semivolatiles - Environmental Standards
  6. UV blocker - Volatiles/ Semivolatiles
  1. Materials Science 材料科学
  2. Building Blocks for Liquid Crystals
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Biochemicals Found in Plants
  4. Alkaloid
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Multi-Drug Resistance and Drug Metabolism
  5. Drug and Xenobiotic Metabolism
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Analytical Enzymes
  5. Peroxidase Enzymes and Reagents
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Nutrition Research
  4. Biochemicals Found in Plants
  5. Alkaloid
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Enzyme
  6. Pepsin
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)