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异丁芬酸
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 海关数据
- 结构与计算化学
- 上游产品
- 下游产品
异丁芬酸 基本信息
- 中文名称:
- 异丁芬酸
- 中文别名:
- 异丁芬酸;
4-异丁基苯乙酸
- 英文名称:
- Ibufenac
- 英文别名:
- ibufenac;
(p-isobutylphenyl)aceticacid;
4-Isobutylphenylacetic acid;
2-[4-(2-methylpropyl)phenyl]acetic acid
- CAS No.:
- 1553-60-2
- 分 子 式:
-
C12H16O2
- 分 子 量:
- 192.25
- 精确分子量:
- 192.11500
- PSA:
- 37.30000
- EINECS:
- 216-302-2
- InChI:
- InChI=1/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)/p-1
- 危险品标志:
-
- 风险术语:
-
- 安全术语:
-
- 分子结构式:
-
- SDS:
- 查看
异丁芬酸 物化性质
- 密度:
- 1.05g/cm3
- 熔点:
- 85-87ºC
- 沸点:
- 312.2ºC at 760mmHg
- 闪点:
- 209.3ºC
- 蒸汽压:
- 0.000229mmHg at 25°C
异丁芬酸 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AI4200000
- CHEMICAL NAME :
- Acetic acid, (p-isobutylphenyl)-
- CAS REGISTRY NUMBER :
- 1553-60-2
- LAST UPDATED :
- 199801
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C12-H16-O2
- MOLECULAR WEIGHT :
- 192.28
- WISWESSER LINE NOTATION :
- QV1R D1Y1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Biochemical - Metabolism (Intermediary) - effect on inflammation or
mediation of inflammation
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180,
Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,481,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 860 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180,
Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,22,1968
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
V.1- 1869- Volume(issue)/page/year: 200,271,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 670 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180,
Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,481,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1130 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180,
Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,22,1968
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 29120 mg/kg/26W-I
- TOXIC EFFECTS :
- Gastrointestinal - other changes
- REFERENCE :
- NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
V.1- 1869- Volume(issue)/page/year: 200,271,1963
异丁芬酸 海关数据
中国海关编码:2916399090
- 概述:
- 2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 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, 丙烯酸、丙烯酸盐或酯应报明包装
- 摘要/Summary:
- 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
异丁芬酸 分子结构与计算化学数据
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:1
3.氢键受体数量:2
4.可旋转化学键数量:4
5.互变异构体数量:无
6.拓扑分子极性表面积:37.3
7.重原子数量:14
8.表面电荷:0
9.复杂度:179
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
上海源叶生物科技有限公司
- 产品介绍:
-
产品名称:对异丁苯乙酸
Cas号:1553-60-2
纯度:98%
包装信息:250mg,50mg
价格:120.0元 - 190.0元
- 联系方式:
-
联系人:Yuki
电话:021-61845781
手机:13585604150
上海瀚思化工有限公司
- 产品介绍:
-
产品名称:4-异丁基苯乙酸
Cas号:1553-60-2
纯度:98%
包装信息:250mg
价格:316.0元
- 联系方式:
-
联系人:张
电话:021-64806089
手机:18049821080