4-乙酰氧基-3-甲氧基苯甲酸
- 中文名称:
- 4-乙酰氧基-3-甲氧基苯甲酸
- 中文别名:
- 4-乙酰氧基-3-甲氧基苯甲酸;
4-(methylamino)benzoate;
4-(Methylamino)benzoic acid;
2-Methoxy-N-Methyaniline ,97%;
2-METHOXY-N-METHYANILINE;
p-n-Octylacetophenone;
1-(4-octylphenyl)ethanone;
4'-N-Octylacetophenone;
4-n-Octylacetophenone;
3-(4-FLUOROPHENYL)BENZOIC ACID;
tamoxifen;
methyl 2-oxocyclopentane-1-carboxylate;
Methyl 2-cyclopentanonecarboxylate;
Ferric nitrate;
Cupric 8-quinolinolate;
Copper oxine;
Copper-oxinate;
Copper oxyquinolate;
Coppe
- 英文名称:
- Benzoic acid,4-(acetyloxy)-3-methoxy-
- 英文别名:
- 4-(Acetyloxy)-3-methoxybenzoic acid;
4-acetyloxy-3-methoxybenzoic acid
- CAS No.:
- 10543-12-1
- 分 子 式:
-
C10H10O5
- 分 子 量:
- 210.18
- 精确分子量:
- 210.05300
- PSA:
- 72.83000
- EINECS:
- 234-122-2
- InChI:
- InChI=1/C10H10O5/c1-6(11)15-8-4-3-7(10(12)13)5-9(8)14-2/h3-5H,1-2H3,(H,12,13)3
- 分子结构式:
-
- SDS:
- 查看
4-乙酰氧基-3-甲氧基苯甲酸 物化性质
- 密度:
- 1.284g/cm3
- 沸点:
- 328ºC at 760mmHg
- 闪点:
- 128.1ºC
- 折射率:
- 1.538
- 蒸汽压:
- 7.91E-05mmHg at 25°C
4-乙酰氧基-3-甲氧基苯甲酸 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DG0936000
- CHEMICAL NAME :
- Benzoic acid, 4-(acetyloxy)-3-methoxy-
- CAS REGISTRY NUMBER :
- 10543-12-1
- BEILSTEIN REFERENCE NO. :
- 2121929
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C10-H10-O5
- MOLECULAR WEIGHT :
- 210.20
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 196,478,1976
4-乙酰氧基-3-甲氧基苯甲酸 海关数据
中国海关编码:2918990090
- 概述:
- 2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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
- 摘要/Summary:
- 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
4-乙酰氧基-3-甲氧基苯甲酸 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:5
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:72.8
7.重原子数量:15
8.表面电荷:0
9.复杂度:250
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