2-异丙基-6-甲基-4-嘧啶醇

2-异丙基-6-甲基-4-嘧啶醇 基本信息
CAS号 2814-20-2 分子式 C8H12N2O
分子量 152.19400 精确质量 　152.09500
PSA 　46.01000 LogP 　1.61400
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
2814-20-2
3D弹球模型：
立即前往扯扯看
分子式：
C8H12N2O
分子量：
152.19400
中文名称：
2-异丙基-6-甲基-4-嘧啶醇
英文名称：
6-methyl-2-propan-2-yl-1H-pyrimidin-4-one
中文别名：
2-异丙基-6-甲基-4-嘧啶醇;
2-异丙基-4-甲基-6-羟基嘧啶;
安石榴苷;
2-异丙基-6-甲基-4-吡啶醇
英文别名：
6-methyl-2-propan-2-yl-1H-pyrimidin-4-one;
2-Isopropyl-6-methyl-4-pyrimidinol;
6-Pyrimidinol,2-isopropyl-4-methyl;
2-ISOPROPYL-6-METHYL-4-PYRIMIDINOL;
2-Isopropyl-4-methyl-6-hydroxypyrimidine;
4(1H)-Pyrimidinone,6-methyl-2-(1-methylethyl);
6-hydroxy-2-isopropyl-4-methylpyrimidine;
EINECS 220-561-7;
2-ISOPROPYL-6-METHYL-4-PYRIMIDONE;
IMHP;
2-isopropyl-6-methyl-4-hydroxypyrimidine;
4-hydroxy-2-isopropyl-6-methyl-pyrimidine;
2-isopropyl-4-hydroxy-6-methylpyrimidine;
2-isopropyl-6-methylpyrimidin-4-ol;
2-Isopropyl-6-methylpyrimidin-4-ol
精确分子量/精确质量：
152.09500
极性分子表面积/PSA：
46.01000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00044811
EINECS：
220-561-7
PubChem：
24863367
InChI：
InChI=1/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)

生产制备方法及用途展开↓

制备方法

由异丁醛制得的异丁腈与甲醇、氯化氢反应，制成亚胺醚盐酸盐。反应方程式如下：由亚胺醚盐酸盐与氨反应生成异丁脒，再与乙酰乙酸乙酯在氢氧化钠存在下环合生成2-异丙基-4-甲基-6-羟基嘧啶。

合成制备方法

由异丁醛制得的异丁腈与甲醇、氯化氢反应，制成亚胺醚盐酸盐。反应方程式如下：
由亚胺醚盐酸盐与氨反应生成异丁脒，再与乙酰乙酸乙酯在氢氧化钠存在下环合生成2-异丙基-4-甲基-6-羟基嘧啶。

用途简介

2-异丙基-4-甲基-6-羟基嘧啶是杀虫剂二嗪磷的中间体，用作有机磷农药二嗪磷、医药中间体。

用途

2-异丙基-4-甲基-6-羟基嘧啶是杀虫剂二嗪磷的中间体，用作有机磷农药二嗪磷、医药中间体。

物化性质展开↓

密度：
1.11g/cm3
熔点：
172-175 °C(lit.)
沸点：
230.5ºC at 760mmHg
闪点：
93.2ºC
折射率：
1.545
蒸汽压：
0.0655mmHg at 25°C
存储条件/存储方法：

密封储存，储存于阴凉、干燥的库房。

稳定性相关：

常温常压下稳定，避免与氧化剂接触。

其它信息：

1.      性状：米色针状固体

2.      密度（g/mL,25℃）：未确定

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：172-175

5.      沸点（ºC,常压）：未确定

6.      沸点（ºC,5mmHg）：未确定

7.      折射率(n20/D)：未确定

8.      闪点（ºC）：未确定

9.      比旋光度（º）：未确定

10.   自燃点或引燃温度（ºC）：未确定

11.   蒸气压（mPa,20ºC）：未确定

12.   饱和蒸气压（kPa,25ºC）：未确定

13.   燃烧热（KJ/mol）：未确定

14.   临界温度（ºC）：未确定

15.   临界压力（KPa）：未确定

16.   油水（辛醇/水）分配系数的对数值：未确定

17.   爆炸上限（%,V/V）：未确定

18.   爆炸下限（%,V/V）：未确定

19.   溶解性：不溶于水

安全信息展开↓

海关代码：
2933599090
WGK_Germany：
2
德国有关水污染物质的分类清单
危险类别码：
R36/37/38
安全说明：
S26-S37/39
RTECS号：
UW7525000
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
危险标志：
Xi: Irritant;

合成路线查看所有的合成路线

  • 333-41-5

    二嗪磷

  • →

  • 2814-20-2

    2-异丙基-6-甲基-4-嘧啶醇

  • 67-56-1

    甲醇

  • +

  • 333-41-5

    二嗪磷

  • →

  • 15959-01-0

    15959-01-0

  • +

  • 2814-20-2

    2-异丙基-6-甲基-4-嘧啶醇

  • 333-41-5

    二嗪磷

  • →

  • 2814-20-2

    2-异丙基-6-甲基-4-嘧啶醇

  • +

  • 2465-65-8

    O,O-diethyl O-hydrogen phosphorothioate

化学图谱

  1. 2-异丙基-6-甲基-4-嘧啶醇质谱(MS)

上一页 1/4 下一页

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW7525000
CHEMICAL NAME :
4(3H)-Pyrimidinone, 2-isopropyl-6-methyl-
CAS REGISTRY NUMBER :
2814-20-2
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C8-H12-N2-O
MOLECULAR WEIGHT :
152.22
WISWESSER LINE NOTATION :
T6N CNJ BY1&1 DQ F1

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 :
2700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 18,208,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2200 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(3),69,1987 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7800 mg/kg/6W-I
TOXIC EFFECTS :
Vascular - BP elevation not characterized in autonomic section Blood - changes in leukocyte (WBC) count Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(3),69,1987
毒理学数据：

1、   急性毒性：大鼠经口LD50：2700mg/kg；小鼠经口LD50：2200mg/kg；

2、其他多剂量毒性：大鼠经口TDLo：7800mg/kg/6W-I；

MSDS 展开↓

Name: 2-Isopropyl-6-Methyl-4-Pyrimidinol 99% Material Safety Data Sheet
Synonym: 6-Methyl-2-(1-Methylethyl)-4(1H)-Pyrimidinone; 2-Isopropyl-4-Methyl-6-Oxypyrimidine; 2-Isopropyl-6-Methyl-3H-Pyrimidin-4-One
CAS: 2814-20-2
Section 1 - Chemical Product   MSDS Name:2-Isopropyl-6-Methyl-4-Pyrimidinol 99% Material Safety Data Sheet
Synonym:6-Methyl-2-(1-Methylethyl)-4(1H)-Pyrimidinone; 2-Isopropyl-4-Methyl-6-Oxypyrimidine; 2-Isopropyl-6-Methyl-3H-Pyrimidin-4-One
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2814-20-2 2-Isopropyl-6-Methyl-4-Pyrimidinol 99 220-561-7
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 2814-20-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Needles
Color: beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 172.00 - 174.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H12N2O
Molecular Weight: 152.20
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2814-20-2: UW7525000 LD50/LC50:
CAS# 2814-20-2: Oral, mouse: LD50 = 2200 mg/kg; Oral, rat: LD50 = 2700 mg/kg.
Carcinogenicity:
2-Isopropyl-6-Methyl-4-Pyrimidinol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 2814-20-2: No information available.
Canada
CAS# 2814-20-2 is listed on Canada's NDSL List.
CAS# 2814-20-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2814-20-2 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2933599090

概述：
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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:20.0%
申报要素：
品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
摘要/Summary：
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

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:1

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:9

6.拓扑分子极性表面积41.5

7.重原子数量:11

8.表面电荷:0

9.复杂度:239

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

上下游相关产品

上游产品

更多

  • 333-41-5

    二嗪磷

  • 67-56-1

    甲醇

下游产品

更多

  • 333-41-5

    二嗪磷

  • 2463-82-3

    4-methyl-6-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-2-propan-2-ylpyrimidine

  • 72799-31-6

    4-ethoxy-6-methyl-2-propan-2-ylpyrimidine

  • 87268-60-8

    3-ethyl-2-isopropyl-6-methylpyrimidin-4(3H)-one

  • 4595-69-1

    Pyrimidine, 4-chloro-6-methyl-2-(1-methylethyl)-

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP