1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-
- 中文别名：2-(4-氧-3,4-二氢邻苯二甲秦)乙酸
- 中文释义：2-(4-氧-3,4-二氢邻苯二甲秦)乙酸;(4-氧代-3,4-二氢二氮杂萘-1-基)乙酸;2-(4-羰基-3,4-二氢酞嗪-1-基)乙酸
- 英文别名：2-(4-oxo-3H-phthalazin-1-yl)acetic acid;
3,4-dihydro-4-oxo-phthalazineacetic acid;
(4-oxo-3,4-dihydro-1-phthalazinyl)acetic acid;
1-Carboxymethyl-phthalazon-(4);
3,4-Dihydro-4-oxo-1-phthalazineacetic acid;
2-(3,4-DIHYDRO-2 H-QUINOLINE-1-CARBONYL)-CYCLOHEXANECARBOXYLIC ACID;
(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid;
1,2-Dihydro-1-oxophthalazin-4-ylacetic acid;
2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid;
4-carboxymethyl-1(2H)-phthalazinone
- CAS No.：25947-11-9
- 分子式：
C10H8N2O3
- 分子量：204.1821
- 精确分子量：204.05300
- PSA：83.05000
- MDL：MFCD00085017
- InChI：InChI=1/C10H8N2O3/c13-9(14)5-8-6-3-1-2-4-7(6)10(15)12-11-8/h1-4H,5H2,(H,12,15)(H,13,14)
- 分子结构式：
物化性质
- 密度：
- 1.48g/cm3
- 熔点：
- 220 °C
- 折射率：
- 1.681
- 其它信息：
1.熔点（760 mmHg,ºC）：220
安全信息
- 密度：
- 1.48g/cm3
- 熔点：
- 220 °C
- 折射率：
- 1.681
- 其它信息：
1.熔点（760 mmHg,ºC）：220
MSDS
| Name: | 2-(4-Oxo-3 4-dihydrophthalazin-1-yl)acetic acid 95+% Material Safety Data Sheet |
| Synonym: | |
| CAS: | 25947-11-9 |
Section 1 - Chemical Product MSDS Name:2-(4-Oxo-3 4-dihydrophthalazin-1-yl)acetic acid 95+% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 25947-11-9 | 2-(4-Oxo-3,4-dihydrophthalazin-1-yl)ac | 95+% | unlisted |
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.
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.
Ingestion:
Get medical aid. Wash mouth out with 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:
Treat symptomatically and supportively.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
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.
Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 25947-11-9: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: off-white to tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 172 - 174 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: C10H8N2O3
Molecular Weight: 204
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 25947-11-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid - Not listed by ACGIH, IARC, or NTP.
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
No information available.
IMO
No information available.
RID/ADR
No information available.
Section 15 - REGULATORY INFORMATION
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 25947-11-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 25947-11-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 25947-11-9 is not listed on the TSCA inventory.
It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码：2933990090
- 概述：
- 2933990090. 其他仅含氮杂原子的杂环化合物. 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：
- 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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
分子结构数据
1、 摩尔折射率：52.19
2、 摩尔体积（cm3/mol）：137.8
3、 等张比容（90.2K）：387.3
4、 表面张力（dyne/cm）：62.3
5、 极化率（10-24cm3）：20.69
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:4
4.可旋转化学键数量:2
5.互变异构体数量:2
6.拓扑分子极性表面积78.8
7.重原子数量:15
8.表面电荷:0
9.复杂度:325
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
