70381-75-8 (阿那格雷杂质C,2-Amino-5,6-dichloro-3(4H)-quinazoline Acetic Acid Ethyl Ester Hydrobromide)

快速询单

结构式：

阿那格雷杂质CMOL文件

CAS号：

70381-75-8

中文名称：

阿那格雷杂质C

英文名称：

2-Amino-5,6-dichloro-3(4H)-quinazoline Acetic Acid Ethyl Ester Hydrobromide

分子式：

C₁₂H₁₄BrCl₂N₃O₂

分子量：

383.06845998764

API：

Anagrelide

阿那格雷杂质C(70381-75-8)名称与标识符

名称

中文别名：

阿那格雷杂质C;5,6-二氯-3,4-二氢-2(1H)-亚胺喹唑啉-3-乙酸乙酯氢溴酸盐;DiI 荧光染料;阿那格雷相关物质C USP标准品;盐酸阿那格雷杂质C;5,6-二氯-3,4-二氢-2(1H)亚胺喹唑啉-3-乙酸乙酯氢溴酸盐;

英文别名：

hydrobromide Anagrelide Related Compound C;Ethyl 5,6-dichloro-3,4-dihydro-2(1H)-iminoquinazoline-3-acetate;2-Amino-5,6-dichloro-3(4H)-quinazoline Acetic Acid Ethyl Ester Hydrobromide;ethyl 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetate,hydrobromide;ETHYL 5,6-DICHLORO-3,4-DIHYDRO-2(1H)-IMINOQUINAZOLINE-3-ACETATE HYDROBROMIDE;ethyl-5,6-dichloro-3,4-dihydro-2-(1H)-iminoquinazoline-3-acetate hydrobromide;AC-3496;ethyl-5,6-dichloro-3,4-dihydro-2[1H]-imino quinazolin-3-acetate hydrobromide;UNII-12WV68THBT;Ethyl 2-(5,6-dichloro-2-imino-1,2-dihydroquinazolin-3(4H)-yl)acetate hydrobromide;Ethyl 2-amino-5,6-dichloro-3(4H)-quinazolineacetate monohydrobromide;3(4H)-Quinazolineaceticacid, 2-amino-5,6-dichloro-, ethyl ester, monohydrobromide (9CI);AKOS025402037;3(4H)-Quinazolineacetic acid, 2-amino-5,6-dichloro-, ethyl ester, hydrobromide (1:1);Q27251443;Ethyl 2-(5,6-dichloro-2-imino-1,2-dihydroquinazolin-3(4H )-yl)acetate hydrobromide;DTXSID10220651;UIACKXKZPDPMBY-UHFFFAOYSA-N;AKOS000425427;ethyl 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetate;hydrobromide;3(4H)-Quinazolineacetic acid, 2-amino-5,6-dichloro-, ethyl ester, hydrobromide (1:1); 3(4H)-Quinazolineacetic acid, 2-amino-5,6-dichloro-, ethyl ester, monohydrobromide (9CI); Anagrelide Related Compound C (USP); Anagrelide Related Compound C as Hydrobromide;3(4H)-Quinazolineacetic acid, 2-amino-5,6-dichloro-, ethyl ester, monohydrobromide;12WV68THBT;70381-75-8;

标识符

InChIKey：

UIACKXKZPDPMBY-UHFFFAOYSA-N

Inchi：

1S/C12H13Cl2N3O2.BrH/c1-2-19-10(18)6-17-5-7-9(16-12(17)15)4-3-8(13)11(7)14;/h3-4H,2,5-6H2,1H3,(H2,15,16);1H

SMILES：

Br.ClC1=C(C=CC2=C1CN(C(N)=N2)CC(=O)OCC)Cl

阿那格雷杂质C(70381-75-8)物化性质

实验特性

LogP : 3.85250
PSA : 65.42000
沸点 : 459.7 °C at 760 mmHg
闪点 : 459.7 °C at 760 mmHg

计算特性

精确分子量 : 380.96500
氢键供体数量 : 2
氢键受体数量 : 3
可旋转化学键数量 : 4
同位素质量 : 380.96464g/mol
重原子数量 : 20
复杂度 : 378
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 : 2
拓扑分子极性表面积 : 67.9Å²

阿那格雷杂质C(70381-75-8)安全信息

危险品运输编号： NONH for all modes of transport

阿那格雷杂质C(70381-75-8)推荐厂家更多厂家(7)

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阿那格雷杂质C(70381-75-8)上下游

溴氰 N-(2,3-二氯-6-氨基苄基)甘氨酸乙酯

阿那格雷杂质C(70381-75-8) MSDS

基础信息

Name:	Ethyl 5 6-dichloro-dihydro-2(1H)-iminoquinazoline-3-acetate Material Safety Data Sheet
Synonym:	Ethyl 2-amino-5,6-dichloro-3(4H)-quinazolineacetate hydrobromid
CAS:	70381-75-8

Section 1 - Chemical Product ? MSDS Name:Ethyl 5 6-dichloro-dihydro-2(1H)-iminoquinazoline-3-acetate Material Safety Data Sheet
Synonym:Ethyl 2-amino-5,6-dichloro-3(4H)-quinazolineacetate hydrobromid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
70381-75-8	Ethyl 5,6-dichloro-dihydro-2(1H)-imino		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# 70381-75-8: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 280 deg C(decom)
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: C12H13Cl2N3O2.HBr
Molecular Weight: 383.07

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 70381-75-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 5,6-dichloro-dihydro-2(1H)-iminoquinazoline-3-acetate hydrobromide - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 70381-75-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 70381-75-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 70381-75-8 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A