中文名 |
4-氨基苯甲酸
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英文名 |
4-aminobenzoic acid
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中文别名 |
对氨基苯甲酸
维生素 Bx
维生素 H1
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英文别名 |
PABA,Vitamin Bx,Vitamin H1
4-Aminobenzoic Acid
EINECS 205-753-0
MFCD00007894
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描述 |
4-Aminobenzoic acid是叶酸由细菌,植物和真菌的合成中的中间体。
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相关类别 |
|
靶点 |
Human Endogenous Metabolite
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密度 |
1.3±0.1 g/cm3 |
沸点 |
339.9±25.0 °C at 760 mmHg |
熔点 |
187-189 °C(lit.) |
分子式 |
C7H7NO2 |
分子量 |
137.136 |
闪点 |
159.4±23.2 °C |
精确质量 |
137.047684 |
PSA |
63.32000 |
LogP |
0.83 |
外观性状 |
白色至灰白色结晶粉末 |
蒸汽压 |
0.0±0.8 mmHg at 25°C |
折射率 |
1.637 |
储存条件 |
1. 贮存时应防止受热,受潮及日光照射,置于阴凉通风,干燥处。
2. 采用内衬聚乙烯塑料袋、外套麻袋包装,每袋50kg。贮存于干燥、通风处。按易燃有毒化学品规定贮运。
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稳定性 |
1. 常温常压下稳定。
禁配物:强氧化
2. 具有中等毒性。刺激皮肤及黏膜。接触皮肤后迅速用水冲洗。生产车间应通风良好,设备应密闭。操作人员应穿戴防护用具。 |
水溶解性 |
4.7 g/L (20 ºC) |
分子结构 |
1、 摩尔折射率:37.41
2、 摩尔体积(cm3/mol):104.2
3、 等张比容(90.2K):295.2
4、 表面张力(dyne/cm):64.3
5、 极化率(10-24cm3):14.83 |
计算化学 |
1.疏水参数计算参考值(XlogP):无
2.氢键供体数量:2
3.氢键受体数量:3
4.可旋转化学键数量:1
5.互变异构体数量:3
6.拓扑分子极性表面积63.3
7.重原子数量:10
8.表面电荷:0
9.复杂度:128
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1 |
更多 |
1. 性状:无色针状晶体,在空气中或光照下变为浅黄色。工业品为米黄色或或灰白色膏状物。
2. 熔点(℃):187-187.5
3. 相对密度(g/mL,25/4℃):1.374
4. 溶解性:易溶于热水、乙醚、乙酸乙酯、乙醇和冰醋酸,难溶于水、苯,不溶于石油醚。 |
毒理学数据:
1、急性毒性:大鼠经口LD50:>6 gm/kg;
大鼠腹腔LD50:>3450 mg/kg;
小鼠经口LC50:2850 mg/kg;
兔子经口LD50:1830 mg/kg。
生态学数据:
其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。
CHEMICAL IDENTIFICATION
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RTECS NUMBER :
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DG1400000
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CHEMICAL NAME :
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Benzoic acid, p-amino-
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CAS REGISTRY NUMBER :
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150-13-0
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BEILSTEIN REFERENCE NO. :
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0471605
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LAST UPDATED :
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199710
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DATA ITEMS CITED :
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17
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MOLECULAR FORMULA :
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C7-H7-N-O2
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MOLECULAR WEIGHT :
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137.15
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WISWESSER LINE NOTATION :
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ZR DVQ
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
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TYPE OF TEST :
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LD50 - Lethal dose, 50 percent kill
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ROUTE OF EXPOSURE :
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Oral
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SPECIES OBSERVED :
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Rodent - rat
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DOSE/DURATION :
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>6 gm/kg
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TOXIC EFFECTS :
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Details of toxic effects not reported other than lethal dose value
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TYPE OF TEST :
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LD50 - Lethal dose, 50 percent kill
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ROUTE OF EXPOSURE :
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Intraperitoneal
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SPECIES OBSERVED :
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Rodent - rat
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DOSE/DURATION :
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>3450 mg/kg
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TOXIC EFFECTS :
-
Details of toxic effects not reported other than lethal dose value
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TYPE OF TEST :
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LD50 - Lethal dose, 50 percent kill
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ROUTE OF EXPOSURE :
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Oral
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SPECIES OBSERVED :
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Rodent - mouse
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DOSE/DURATION :
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2850 mg/kg
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TOXIC EFFECTS :
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Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness
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TYPE OF TEST :
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LD50 - Lethal dose, 50 percent kill
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ROUTE OF EXPOSURE :
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Oral
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SPECIES OBSERVED :
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Mammal - dog
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DOSE/DURATION :
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1 gm/kg
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TOXIC EFFECTS :
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Details of toxic effects not reported other than lethal dose value
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TYPE OF TEST :
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LD50 - Lethal dose, 50 percent kill
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ROUTE OF EXPOSURE :
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Oral
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SPECIES OBSERVED :
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Rodent - rabbit
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DOSE/DURATION :
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1830 mg/kg
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TOXIC EFFECTS :
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Details of toxic effects not reported other than lethal dose value
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TYPE OF TEST :
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LD50 - Lethal dose, 50 percent kill
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ROUTE OF EXPOSURE :
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Intravenous
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SPECIES OBSERVED :
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Rodent - rabbit
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DOSE/DURATION :
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2 gm/kg
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TOXIC EFFECTS :
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Details of toxic effects not reported other than lethal dose value
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TYPE OF TEST :
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TDLo - Lowest published toxic dose
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ROUTE OF EXPOSURE :
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Oral
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SPECIES OBSERVED :
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Mammal - species unspecified
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DOSE/DURATION :
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182 mg/kg/26W-I
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TOXIC EFFECTS :
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Liver - other changes Blood - changes in erythrocyte (RBC) count Blood - changes in leukocyte (WBC) count
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TYPE OF TEST :
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TDLo - Lowest published toxic dose
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ROUTE OF EXPOSURE :
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Oral
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DOSE :
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2500 mg/kg
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SEX/DURATION :
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female 1-22 day(s) after conception
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TOXIC EFFECTS :
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Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
MUTATION DATA
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TEST SYSTEM :
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Rodent - mouse
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DOSE/DURATION :
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1 gm/kg
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REFERENCE :
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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 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 16,249,1978 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 16,249,1978 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80471 No. of Facilities: 144 (estimated) No. of Industries: 3 No. of Occupations: 10 No. of Employees: 8957 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80471 No. of Facilities: 821 (estimated) No. of Industries: 3 No. of Occupations: 21 No. of Employees: 10227 (estimated) No. of Female Employees: 6397 (estimated)
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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。
海关编码 |
2922499990 |
中文概述 |
2922499990 其他氨基酸及其酯及它们的盐(含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0% |
申报要素 |
品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装 |
监管条件 |
A.入境货物通关单 B.出境货物通关单 |
检验检疫 |
P.进境动植物、动植物产品检疫 Q.出境动植物、动植物产品检疫 R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验 |
Summary |
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0% |