25947-11-9 (2-(4-氧代-3,4-二氢-2,3-二氮杂萘-1-基),2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid)

快速询单

结构式：

2-(4-氧代-3,4-二氢-2,3-二氮杂萘-1-基)MOL文件

CAS号：

25947-11-9

中文名称：

2-(4-氧代-3,4-二氢-2,3-二氮杂萘-1-基)

英文名称：

2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid

分子式：

C₁₀H₈N₂O₃

分子量：

204.18212223053

2-(4-氧代-3,4-二氢-2,3-二氮杂萘-1-基)(25947-11-9)名称与标识符

名称

中文别名：

(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;2-(4-氧-3,4-二氢邻苯二甲秦)乙酸;2-(4-氧代-3,4-二氢-2,3-二氮杂萘-1-基);3,4-二氢-4-氧代酞嗪-1-乙酸;

英文别名：

2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid;(4-OXO-3,4-DIHYDRO-PHTHALAZIN-1-YL)-ACETIC ACID;(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid;1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-;2-(4-oxo-3H-phthalazin-1-yl)acetic acid;(4-oxo-3,4-dihydro-1-phthalazinyl)acetic acid;1,2-Dihydro-1-oxophthalazin-4-ylacetic acid;1-Carboxymethyl-phthalazon-(4);2-(3,4-DIHYDRO-2 H-QUINOLINE-1-CARBONYL)-CYCLOHEXANECARBOXYLIC ACID;3,4-Dihydro-4-oxo-1-phthalazineacetic acid;3,4-dihydro-4-oxo-phthalazineacetic acid;4-carboxymethyl-1(2H)-phthalazinone;NSC 408027;1-PHTHALAZINEACETIC ACID, 3,4-DIHYDRO-4-OXO-;3,4-Dihydro-4-oxophthalazine-1-acetic acid;ZEDQLIHBPGNGEC-UHFFFAOYSA-N;(1,2-Dihydro-1-Oxophthalazin-4-Yl) Acetic Acid;2-(4-Oxidanylidene-3~{h}-Phthalazin-1-Yl)etha;SMR000145739;Q27455908;CCG-125107;5OF;Maybridge1_004772;HMS1376F15;SY041940;ChemDiv2_002589;HMS555A20;AB00993764-01;AKOS005511970;EN300-07250;BRD-K75649329-001-09-4;NSC408027;2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetic acid, AldrichCPR;BRD-K75649329-001-06-0;PB30600;2-(4-Oxidanylidene-3~{h}-Phthalazin-1-Yl)ethanoic Acid;HMS1703A20;CS-0052406;W-206995;AKOS000112004;A818099;SCHEMBL5717747;HMS2520G19;SR-01000501956;FT-0608687;SDCCGMLS-0066141.P001;AMY12291;EU-0087353;DTXSID70324942;NSC-408027;25947-11-9;1-Phthalazineaceticacid,3,4-dihydro-4-oxo-;phthalazon-4-yl-acetic acid;MLS000551814;SR-01000501956-1;MFCD00085017;Oprea1_179587;Z56871698;2-(4-oxo-3H-phthalazin-1-yl)acetic acid;2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid;CHEMBL1411440;STK587907;(4-oxo-3H-phthalazin-1-yl)acetic acid;DB-046798;(4-hydroxyphthalazin-1-yl)acetic acid;STK393539;ALBB-010215;

标识符

MDL：

MFCD00085017

InChIKey：

ZEDQLIHBPGNGEC-UHFFFAOYSA-N

Inchi：

1S/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)

SMILES：

O=C1C2C=CC=CC=2C(CC(=O)O)=NN1

2-(4-氧代-3,4-二氢-2,3-二氮杂萘-1-基)(25947-11-9)物化性质

实验特性

LogP : 0.55020
PSA : 83.05000
折射率 : 1.681
沸点 : °Cat760mmHg
熔点 : 179-181 ºC
闪点 : °C
溶解度 : 微溶 (3.1 g/L) (25 ºC),
密度 : 1.48±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 204.05300
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 2
同位素质量 : 204.053
重原子数量 : 15
复杂度 : 325
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.7
互变异构体数量 : 2
表面电荷 : 0
拓扑分子极性表面积 : 78.8

2-(4-氧代-3,4-二氢-2,3-二氮杂萘-1-基)(25947-11-9)安全信息

2-(4-氧代-3,4-二氢-2,3-二氮杂萘-1-基)(25947-11-9)海关数据

海关编码：

2933990090

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

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%

2-(4-氧代-3,4-二氢-2,3-二氮杂萘-1-基)(25947-11-9)推荐厂家更多厂家(14)

公司名称	手机号/电话	联系人	QQ	询单
湖北扬信医药科技有限公司	13092795037 0714-3996388	熊磊	3003473323	询单
JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
上海甄准生物科技有限公司	13816009161 021-68920155	姜经理13816009161	3001086693	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
上海麦克林生化科技股份有限公司	15221275939 021-50706066	沈经理	269348414	询单

2-(4-氧代-3,4-二氢-2,3-二氮杂萘-1-基)(25947-11-9)参考资料

Beilstein：

P175923

PubChem CID：

348621

2-(4-氧代-3,4-二氢-2,3-二氮杂萘-1-基)(25947-11-9) MSDS

基础信息

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