81-50-5 (1-氨基-4-溴-2-甲基蒽并醌,1-amino-4-bromo-2-methyl-9,10-dihydroanthracene-9,10-dione)

快速询单

结构式：

1-氨基-4-溴-2-甲基蒽并醌MOL文件

CAS号：

81-50-5

中文名称：

1-氨基-4-溴-2-甲基蒽并醌

英文名称：

1-amino-4-bromo-2-methyl-9,10-dihydroanthracene-9,10-dione

安全信息：

分子式：

C₁₅H₁₀BrNO₂

分子量：

316.149403095245

1-氨基-4-溴-2-甲基蒽并醌(81-50-5)名称与标识符

名称

中文别名：

1-氨基-4-溴-2-甲基蒽并醌;1-氨基-4-溴-2-甲基蒽醌;1-氨基-4-溴-2-甲基蒽酮;1-氨基-4-溴基-2-甲基蒽醌;

英文别名：

9,10-Anthracenedione,1-amino-4-bromo-2-methyl-;1-amino-4-bromo-2-methylanthracene-9,10-dione;1-AMINO-4-BROMO-2-METHYLANTHRAQUINONE;1-amino-2-methyl-4-bromoanthraquinone;1-Amino-4-brom-2-methyl-anthrachinon;1-amino-4-bromo-2-methyl-9,10-anthracenedione;9,10-Anthracenedione,1-amino-4-bromo-2-methyl;Anthraquinone,1-amino-4-bromo-2-methyl;1-amino-4-bromo-2-methyl-9,10-dihydroanthracene-9,10-dione;1-Amino-4-bromo-2-methyl-9,10-anthracenedione (ACI);Anthraquinone, 1-amino-4-bromo-2-methyl- (6CI, 7CI, 8CI);1-Amino-2-methyl-4-bromo-9,10-anthraquinone;1-Amino-3-bromo-2-methyl-9,10-anthraquinone;4-Bromo-2-methyl-1-anthraquinonylamine;NSC 401160;9,10-Anthracenedione, 1-amino-4-bromo-2-methyl-;1-Amino-4-bromo-2-methylanthraquinone, 99%;DTXSID1058848;Q27281939;NSC-401160;1-Amino-4-bromo-2-methylanthra-9,10-quinone #;UNII-K495LUA00R;NS00038129;AKOS000120858;9, 1-amino-4-bromo-2-methyl-;NSC401160;SCHEMBL726339;Z104484146;81-50-5;MFCD00001221;EINECS 201-355-6;UPCMLD0ENAT5889036:001;CS-0239268;EN300-20868;K495LUA00R;Anthraquinone, 1-amino-4-bromo-2-methyl-;

标识符

MDL：

MFCD00001221

InChIKey：

VIQMJMDPUIBXQO-UHFFFAOYSA-N

Inchi：

1S/C15H10BrNO2/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6H,17H2,1H3

SMILES：

O=C1C2C(=C(C(C)=CC=2Br)N)C(=O)C2C1=CC=CC=2

1-氨基-4-溴-2-甲基蒽并醌(81-50-5)物化性质

实验特性

LogP : 3.69630
PSA : 60.16000
熔点 : 245 °C (dec.) (lit.)
颜色与性状 : 橙红色粉末
溶解性 : 未确定

计算特性

精确分子量 : 314.98900
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 314.98949g/mol
重原子数量 : 19
复杂度 : 411
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） : 3.8
互变异构体数量 : 13
表面电荷 : 0
拓扑分子极性表面积 : 60.2Å²

1-氨基-4-溴-2-甲基蒽并醌(81-50-5)安全信息

符号： GHS07
WGK Germany： 3
安全说明： 26-37/39
风险术语： R36/37/38
危险品标志： Xi
危险品运输编号： NONH for all modes of transport
危害声明：H315-H319-H335
警示性声明：P261-P305+P351+P338
危险类别码： 36/37/38
信号词： Warning

1-氨基-4-溴-2-甲基蒽并醌(81-50-5)国际标准相关数据

EINECS：

201-355-6

1-氨基-4-溴-2-甲基蒽并醌(81-50-5)海关数据

海关编码：

2922399090

海关数据：

中国海关编码：

2922399090

概述：

2922399090 其他氨基醛、氨基酮及其盐（包括氨基醌及其盐，但含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

Summary：

2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

1-氨基-4-溴-2-甲基蒽并醌(81-50-5)推荐厂家更多厂家(8)

公司名称	手机号/电话	联系人	QQ	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	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
天成化工（江苏）有限公司	15251950002 0512-83500002	陈小姐		询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单
上海阿拉丁生化科技股份有限公司	13167063860 13167063860	阿拉丁	3004013043	询单
宁波海曙唐彩化工有限公司				询单

1-氨基-4-溴-2-甲基蒽并醌(81-50-5)合成路线

合成路线：1 步

82-28-0

_84%

81-50-5

反应条件：

1.1 Reagents: Hydrogen peroxide , Hydrogen bromide Solvents: Methanol ; 5 min, 30 - 32 °C; 8 h, 30 - 32 °C
1.2 Reagents: Sodium bicarbonate , Sodium thiosulfate Solvents: Water ; rt

参考文献：

Efficient, facile metal free protocols for the bromination of commercially important deactivated aminoanthracene-9,10-diones

Patil, Vilas V.; et al, Tetrahedron Letters, 2017, 58(26), 2608-2613

合成路线：1 步

82-28-0

_13%

81-50-5

反应条件：

1.1 Reagents: Bromine

参考文献：

The synthesis of some monomethylanthracenamines

Castle, Raymond N.; et al, Collection of Czechoslovak Chemical Communications, 1991, 56, 2269-77

合成路线：1 步

82-28-0

81-50-5

反应条件：

1.1 Reagents: Bromine Solvents: Acetic acid ; 20 min, 15 °C; 15 h, 35 °C; 35 °C → 50 °C; 4 h, 50 °C

参考文献：

Synthesis and color properties of novel polymeric dyes based on grafting of anthraquinone derivatives onto O-carboxymethyl chitosan

Lv, Dongjun; et al, RSC Advances, 2017, 7(53), 33494-33501

合成路线：1 步

21172-16-7

_75%

81-50-5

反应条件：

1.1 Reagents: Hydrogen bromide

参考文献：

Transformations of anthra[1,9-cd]isoxazol-6-ones in hydrohalic acids

Gornostaev, L. M.; et al, Khimiya Geterotsiklicheskikh Soedinenii, 1980, (11), 1471-3

合成路线：1 步

92629-25-9

81-50-5

反应条件：

1.1 Reagents: Aluminum chloride Catalysts: Cyclohexene

参考文献：

Reaction of 6-oxo-6H-anthra[1,9-cd]isoxazoles with cyclohexene

Gornostaev, L. M.; et al, Zhurnal Organicheskoi Khimii, 1991, 27(8), 1762-4

1-氨基-4-溴-2-甲基蒽并醌(81-50-5)相关文献

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Dongjun Lv,Jin Cui,Yufang Wang,Guohua Zhu,Mingjie Zhang,Xiujing Li RSC Adv. 2017 7 33494
2. 667. New intermediates and dyes. Part IX. Reactions of 2-methyl-1-nitro- and 1-amino-2-methyl-anthraquinone; derived dyes for cellulose acetate rayon
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1-氨基-4-溴-2-甲基蒽并醌(81-50-5) MSDS

基础信息

Name:	1-Amino-4-bromo-2-methylanthraquinone 95% Material Safety Data Sheet
Synonym:
CAS:	81-50-5

Section 1 - Chemical Product ? MSDS Name:1-Amino-4-bromo-2-methylanthraquinone 95% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
81-50-5	1-Amino-4-bromo-2-methylanthraquinone	95%	201-355-6

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# 81-50-5: 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: Crystalline powder
Color: orange to red
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 245 - 252 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: C15H10BrNO2
Molecular Weight: 316.15

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 81-50-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Amino-4-bromo-2-methylanthraquinone - 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# 81-50-5: No information available.
Canada
CAS# 81-50-5 is listed on Canada's NDSL List.
CAS# 81-50-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 81-50-5 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A