2-羟基-5-(羟基甲基)苯甲醛
- 中文名称:
- 2-羟基-5-(羟基甲基)苯甲醛
- 中文别名:
- 2-羟基-5-(羟基甲基)苯甲醛
- 英文名称:
- 2-HYDROXY-5-HYDROXYMETHYL-BENZALDEHYDE
- 英文别名:
- 2-hydroxy-5-(hydroxymethyl)benzaldehyde;
5-methoxysalicylaldehyde;
2-HYDROXY-5-HYDROXYMETHYL-BENZALDEHYDE;
BENZALDEHYDE,2-HYDROXY-5-(HYDROXYMETHYL);
Salicylaldehyde,5-(hydroxymethyl);
5-hydroxymethyl salicylaldehyde
- CAS No.:
- 74901-08-9
- 分 子 式:
-
C8H8O3
- 分 子 量:
- 152.15
- 精确分子量:
- 152.04700
- PSA:
- 57.53000
- InChI:
- The Key: MFHBKQHAPQBJFO-UHFFFAOYSA-N3
- SDS:
- 查看
2-羟基-5-(羟基甲基)苯甲醛 物化性质
- 密度:
- 1.342g/cm3
- 沸点:
- 306.5ºC at 760 mmHg
- 闪点:
- 153.4ºC
- 折射率:
- 1.649
2-羟基-5-(羟基甲基)苯甲醛 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CU6525500
- CHEMICAL NAME :
- Benzaldehyde, 2-hydroxy-5-(hydroxymethyl)-
- CAS REGISTRY NUMBER :
- 74901-08-9
- BEILSTEIN REFERENCE NO. :
- 3237579
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H8-O3
- MOLECULAR WEIGHT :
- 152.16
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
Behavioral - muscle weakness
Lungs, Thorax, or Respiration - respiratory depression
- 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: 26,123,1926
2-羟基-5-(羟基甲基)苯甲醛 海关数据
中国海关编码:2912499000
- 概述:
- 2912499000. 其他醛醚、醛酚及含其他含氧基的醛. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
- 申报要素:
- 品名, 成分含量, 用途, 四聚甲醛报明外观
- 摘要/Summary:
- 2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%
2-羟基-5-(羟基甲基)苯甲醛 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):0.7
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:2
5.互变异构体数量:5
6.拓扑分子极性表面积:57.5
7.重原子数量:11
8.表面电荷:0
9.复杂度:135
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