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