4-Aminophenol


  • 中文别名:4-氨基酚
  • 中文释义:4-氨基苯酚;对氨基酚;对氨基苯酚;对羟基苯胺;4-羟基苯胺
  • 英文别名:4-aminophenol;
    Acetaminophen Impurity K;
    |p|-Aminophenol;
    p-Aminophenol;
    1-amino-4-hydroxybenzene;
    4-AMINOPHENOL 0,97;
    renalac;
    para-amino phenol;
    4-AMINO-1-HYDROXYBENZENE;
    4-Hydroxyaniline;
    CITOL;
    Paracetamol Impurity K;
    4-AMINO PHENOL;
    Freedol;
    4-NH2-Phenol;
    4-NITROBENZENAMINE;
    AZOL;
    4-AMINOPHENOL (4-HYDROXYANILINE);
    4-amino-phenol;
    P-AMINO PHENOL;
    4-HYDROXYANILINE;
    Kathol;
    para-hydroxyaniline;
    ursolp;
    PARACETAMOL,IMP. K;
    Unal;
    p-hydroxyphenylamine;
    4-Aminophenol;
    4-AMINOPHENOL FOR SYNTHESIS;
    P-AMINOPHNOL;
    Kodelon;
    1-AMINO-4-HYDROXYBENZENE;
    4-AMINOPHENOL/4-HYDROXYANILINE;
    Energol 
  • CAS No.:123-30-8
  • 分子式:

    C6H7NO

  • 分子量:109.13
  • 精确分子量:109.05300
  • PSA:46.25000
  • MDL:MFCD00007869
  • InChI:InChI=1/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
  • 分子结构式:

物化性质

外观与性状:
灰白色粒状的粉末
密度:
1.29
熔点:
188 °C
沸点:
284 °C
闪点:
189 °C
水溶解性:
1.5 g/100 mL (20 ºC)
折射率:
1.5764 (20ºC)
蒸汽压:
0.00202mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥,与氧化剂、食品添加剂分开存放
稳定性相关:

1.水中溶解度:13℃时0.39%、24℃时0.65%、30℃时0.80%、50℃时1.5%、80℃时4.7%、96℃时8.5%。甲乙酮中溶解度:58.5℃时9.3%。无水乙醇中溶解度:0℃时4.5%。溶于热水和乙醇,微溶于水和甲乙酮,不溶于苯、甲苯和氯仿。

2.稳定性[15] 稳定

3.禁配物[16] 酸类、酰基氯、酸酐、氯仿、强氧化剂

4.避免接触的条件[17] 受热

5.聚合危害[18] 不聚合

其它信息:

1.性状:白色至灰褐色结晶[1]

2.熔点(℃):186~189[2]

3.沸点(℃):150(0.4kPa)[3]

4.饱和蒸气压(kPa):0.4(150℃)[4]

5.辛醇/水分配系数:0.04[5]

6.溶解性:微溶于水、乙醇、乙醚。[6]

安全信息

外观与性状:
灰白色粒状的粉末
密度:
1.29
熔点:
188 °C
沸点:
284 °C
闪点:
189 °C
水溶解性:
1.5 g/100 mL (20 ºC)
折射率:
1.5764 (20ºC)
蒸汽压:
0.00202mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥,与氧化剂、食品添加剂分开存放
稳定性相关:

1.水中溶解度:13℃时0.39%、24℃时0.65%、30℃时0.80%、50℃时1.5%、80℃时4.7%、96℃时8.5%。甲乙酮中溶解度:58.5℃时9.3%。无水乙醇中溶解度:0℃时4.5%。溶于热水和乙醇,微溶于水和甲乙酮,不溶于苯、甲苯和氯仿。

2.稳定性[15] 稳定

3.禁配物[16] 酸类、酰基氯、酸酐、氯仿、强氧化剂

4.避免接触的条件[17] 受热

5.聚合危害[18] 不聚合

其它信息:

1.性状:白色至灰褐色结晶[1]

2.熔点(℃):186~189[2]

3.沸点(℃):150(0.4kPa)[3]

4.饱和蒸气压(kPa):0.4(150℃)[4]

5.辛醇/水分配系数:0.04[5]

6.溶解性:微溶于水、乙醇、乙醚。[6]

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SJ5075000
CHEMICAL NAME :
Phenol, p-amino-
CAS REGISTRY NUMBER :
123-30-8
LAST UPDATED :
199710
DATA ITEMS CITED :
53
MOLECULAR FORMULA :
C6-H7-N-O
MOLECULAR WEIGHT :
109.14
WISWESSER LINE NOTATION :
ZR DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
375 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Lungs, Thorax, or Respiration - cyanosis Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 mg/kg/1H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
465 mg/kg
TOXIC EFFECTS :
Blood - methemoglobinemia-carboxyhemoglobin
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
675 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
470 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
37 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - cyanosis Blood - methemoglobinemia-carboxyhemoglobin Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
1530 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
6400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
563 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - wild bird species
DOSE/DURATION :
56200 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1326 mg/kg/4W-I
TOXIC EFFECTS :
Blood - pigmented or nucleated red blood cells Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2500 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
667 mg/kg
SEX/DURATION :
female 11 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
38850 mg/kg
SEX/DURATION :
female 13 week(s) pre-mating female 1-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
11100 mg/kg
SEX/DURATION :
female 13 week(s) pre-mating female 1-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
563 mg/kg
SEX/DURATION :
female 1-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
150 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
200 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - body wall
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
100 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
150 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - body wall
TYPE OF TEST :
Micronucleus test
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Sperm Morphology

MUTATION DATA

TYPE OF TEST :
Sex chromosome loss and nondisjunction
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
10 mg/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 26,163,1995 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1481 No. of Facilities: 5320 (estimated) No. of Industries: 4 No. of Occupations: 6 No. of Employees: 49882 (estimated) No. of Female Employees: 37110 (estimated)
毒理学数据:

1.急性毒性[7]

LD50:375mg/kg(大鼠经口);420mg/kg(小鼠经口);10000mg/kg(兔经口);>10g/kg(兔经皮)。

LC50:>5mg/m3(大鼠吸入,1h)

2.刺激性[8]

家兔经皮:12500μg(24h),轻度刺激。

家兔经眼:100mg,轻度刺激。

3.致突变性[9] 微生物致突变性:鼠伤寒沙门菌2μmol/皿。体细胞突变:小鼠淋巴细胞4mg/L。精子形态学:小鼠腹腔500mg/kg(5d)。DNA损伤和抑制:人淋巴细胞250μmol/L。

4.致畸形[10] 仓鼠孕后8d静脉内给予最低中毒剂量(TDLo)100mg/kg,致中枢神经系统、眼、耳、肌肉骨骼系统发育畸形。

5.其他[11] 大鼠最低中毒剂量(TDLo):563mg/kg(孕1~22d),死胎。

生态数据:

1.生态毒性[12]

LC50:24mg/L(96h)(黑头呆鱼);2mg/L(48h)(金鱼)

EC50:0.032mg/L(水蚤)

2.生物降解性[13] 当4-氨基苯酚的COD值在200mg/L时,使用经过驯化的活性污泥,且污泥浓度达到100mg/L,在5d后(有氧),COD去除率为87%。

3.非生物降解性[14] 空气中,当羟基自由基浓度为5.00×105个/cm3时,降解半衰期5h(理论)。

MSDS

国标编号: 61720
CAS: 123-30-8
中文名称: 4-氨基苯酚
英文名称: 4-aminophenol;p-aminophenol
别 名: 对氨基苯酚
分子式: C6H7NO;HOC6H4NH2
分子量: 109.12
熔 点: 184℃/分解 沸点:15
密 度:
蒸汽压:
溶解性: 微深于水、醇、醚
稳定性: 稳定,不聚合
外观与性状: 白色至灰褐色结晶
危险标记: 15(有害品,远离食品)
用 途: 用于制造染料、药物及塑料固化剂等

对环境的影响:
一、健康危害
侵入途径:吸入、食入。
健康危害:本品不易经皮肤吸收,属致敏物质,能引起支气管哮喘,接触过敏性皮炎。吸入过量的本品粉尘可引起高铁血红蛋白血症。
二、毒理学资料及环境行为
急性毒性:LD50375mg/kg (大鼠经口);人吸入1mg/m3,最小中毒浓度(血液影响);人经口50mg/kg,最小致死剂量。
致突然袭击变性:微生物致突变性:鼠伤寒沙门氏菌2umol/皿。体细胞突变:小鼠淋巴细胞4mg/L。精子形态学:小鼠腹腔500mg/kg,5天。
生殖毒性:大鼠最低中毒剂量(TDL0):563mg/kg(孕1~22天),死胎。
危险特性:遇明火、高热可燃。与强氧化剂可发生反应。受热分解放出有毒的氧化氮烟气。
燃烧(分解)产物:一氧化碳、二氧化碳、氧化氮。
3.现场应急监测方法:
 
4.实验室监测方法:
极谱法(空气,苏联)
环境和废水试样中痕量2-、3-和4-氨基苯酚的电子浮获检测-GC测定[刊,日]/Osaki Y.;Matsueda T.//分析化学.-1988,37(2)-253~258 《分析化学文摘 》1992-1993
5.环境标准:
前苏联(1975)工作环境空气中最大允许浓度 1mg/m3
前苏联 水体中有害物质最高允许浓度 0.05mg/L
6.应急处理处置方法:
一、泄漏应急处理
隔离泄漏污染区,限制出入,切断火源,建议应急处理人员戴呼吸器,穿消防防护服。小量泄漏:用清洁的铲子收集于干燥,清净,有盖的空器中。大量泄漏:收集回收或运至废物处理场所处置。
二、防护措施
呼吸系统防护:空气中粉尘浓度超标时,佩戴自吸过滤式防尘口罩。紧急事态抢救或撤离时,应该佩戴空气呼吸器。
眼睛防护:戴化学安全防护眼镜。
身体防护:穿防毒物渗透工作服。
手防护:戴橡胶手套。
其它:工作现场禁止吸烟、进食和饮水。工作毕,淋浴更衣。单独存放被毒物污染的衣服,洗后务用。保持良好的卫生习惯。
三、急救措施
皮肤接触:脱去被污染的衣着,用肥皂水和清水彻底冲洗皮肤。
眼睛接触:提起眼睑,用流动清水或生理盐水冲洗,就医。
吸入:迅速脱离现场至空气新鲜处,保持呼吸通畅。如呼吸困难,给输氧,如呼吸停止,立即进行人工呼吸,就医。
食入:饮足量温水,催吐,就医。
灭火方法:雾状水、泡沫、二氧化碳、干粉、砂土。

海关数据

中国海关编码:2922299090

概述:
2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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
摘要/Summary:
2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据

分子结构数据

1、摩尔折射率:32.37

2、摩尔体积(cm3/mol):90.1

3、等张比容(90.2K):248.1

4、表面张力(dyne/cm):57.4

5、极化率(10-24cm3):12.83

计算化学数据

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:2

4.可旋转化学键数量:0

5.互变异构体数量:4

6.拓扑分子极性表面积46.2

7.重原子数量:8

8.表面电荷:0

9.复杂度:66.9

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

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