91579-11-2 (2-(苄胺)-1-(4-硝基苯基)乙醛-1-醇,Benzenemethanol,4-nitro-a-[[(phenylmethyl)amino]methyl]-)

快速询单

结构式：

2-(苄胺)-1-(4-硝基苯基)乙醛-1-醇MOL文件

CAS号：

91579-11-2

中文名称：

2-(苄胺)-1-(4-硝基苯基)乙醛-1-醇

英文名称：

Benzenemethanol,4-nitro-a-[[(phenylmethyl)amino]methyl]-

分子式：

C₁₅H₁₆N₂O₃

分子量：

272.299143791199

2-(苄胺)-1-(4-硝基苯基)乙醛-1-醇(91579-11-2)名称与标识符

名称

中文别名：

2-(苄胺)-1-(4-硝基苯基)乙醛-1-醇;

英文别名：

Benzenemethanol,4-nitro-a-[[(phenylmethyl)amino]methyl]-;2-(Benzylamino)-1-(4-nitrophenyl)ethan-1-ol;2-(benzylamino)-1-(4-nitrophenyl)ethanol;2-BENZYLAMINO-1-(4-NITROPHENYL)ETHANOL;2-Benzylamino-1-(4-nitro-phenyl)ethanol;2-Benzylamino-1-<4-nitro-phenyl>-aethan-1-ol;2-BENZYLAMINO-1-(4-NITRO-PHENYL)-ETHANOL;SCHEMBL10876512;MFCD00193246;AKOS002663383;Oprea1_062692;CBDivE_003292;DTXSID10370741;AKOS016043067;FT-0608731;HMS561I01;CS-0352398;AB04661;Z56755856;91579-11-2;Maybridge1_007041;Oprea1_253973;

标识符

MDL：

MFCD00193246

InChIKey：

JDCPMOWSBPLTHF-UHFFFAOYSA-N

Inchi：

1S/C15H16N2O3/c18-15(11-16-10-12-4-2-1-3-5-12)13-6-8-14(9-7-13)17(19)20/h1-9,15-16,18H,10-11H2

SMILES：

OC(C1C=CC(=CC=1)[N+](=O)[O-])CNCC1C=CC=CC=1

2-(苄胺)-1-(4-硝基苯基)乙醛-1-醇(91579-11-2)物化性质

实验特性

LogP : 3.33210
PSA : 78.08000
折射率 : 1.618
沸点 : 465.8°Cat760mmHg
熔点 : 133 °C
闪点 : 235.5°C
密度 : 1.246

计算特性

精确分子量 : 272.11600
氢键供体数量 : 2
氢键受体数量 : 4
可旋转化学键数量 : 5
同位素质量 : 272.11609238g/mol
重原子数量 : 20
复杂度 : 292
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 : 1
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） : 2
拓扑分子极性表面积 : 78.1Å²

2-(苄胺)-1-(4-硝基苯基)乙醛-1-醇(91579-11-2)安全信息

2-(苄胺)-1-(4-硝基苯基)乙醛-1-醇(91579-11-2)海关数据

海关编码：

2922199090

海关数据：

中国海关编码：

2922199090

概述：

2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 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: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：

2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-(苄胺)-1-(4-硝基苯基)乙醛-1-醇(91579-11-2)推荐厂家更多厂家(1)

公司名称	手机号/电话	联系人	QQ	微信	询单
Atomax Chemicals Co., Ltd.					询单

2-(苄胺)-1-(4-硝基苯基)乙醛-1-醇(91579-11-2) MSDS

基础信息

Name:	2-(Benzylamino)-1-(4-nitrophenyl)ethan-1-ol 97% Material Safety Data Sheet
Synonym:
CAS:	91579-11-2

Section 1 - Chemical Product ? MSDS Name:2-(Benzylamino)-1-(4-nitrophenyl)ethan-1-ol 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
91579-11-2	2-(Benzylamino)-1-(4-nitrophenyl)ethan	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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# 91579-11-2: 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: cream
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 126 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: C15H16N2O3
Molecular Weight: 272

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 91579-11-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(Benzylamino)-1-(4-nitrophenyl)ethan-1-ol - 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
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 3259
Packing Group: III
IMO
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing Group: III
RID/ADR
Shipping Name: AMINES, SOLID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 3259
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 91579-11-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 91579-11-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 91579-11-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A