175204-09-8 (2-氰基-4-硝基苯胺,2-Fluoro-6-(4-methylbenzyloxy)benzonitrile)

快速询单

结构式：

2-氰基-4-硝基苯胺MOL文件

CAS号：

175204-09-8

中文名称：

2-氰基-4-硝基苯胺

英文名称：

2-Fluoro-6-(4-methylbenzyloxy)benzonitrile

分子式：

C₁₅H₁₂FNO

分子量：

241.260287284851

2-氰基-4-硝基苯胺(175204-09-8)名称与标识符

名称

中文别名：

2-氟-6-（4-甲基苯甲氧基）苯腈;2-氟-6-(4-甲基苄氧基)苯甲腈;2-氟-6-(4-甲基苄氧基)苄腈;2-氰基-4-硝基苯胺;

英文别名：

2-Fluoro-6-((4-methylbenzyl)oxy)benzonitrile;2-FLUORO-6-(4-METHYLBENZYLOXY)BENZONITRILE;2-Fluoro-6-[(4-methylbenzyl)oxy]benzonitrile;2-fluoro-6-[(4-methylphenyl)methoxy]benzonitrile;Benzonitrile,2-fluoro-6-[(4-methylphenyl)methoxy]-;6-fluoro-2-[(4-methylphenyl)methoxy]benzenecarbonitrile;AC1MC78C;CDS1_001017;Maybridge1_005769;2-Fluoro-6-(4-methylbenzyloxy)benzonitrile97%;2-Fluoro-6-(4-methylbenzyloxy)benzonitrile 97%;HMS557O05;SCHEMBL1154479;FT-0612377;A811902;Oprea1_436868;DivK1c_002057;2-fluoro-6-(4-methylbenzyloxy)benzonitrile, AldrichCPR;DTXSID00372032;CS-0333844;175204-09-8;MFCD00068204;AKOS005258689;PYDSAKVFHVQAAD-UHFFFAOYSA-N;Benzonitrile, 2-fluoro-6-[(4-methylphenyl)methoxy]-;DB-044126;

标识符

MDL：

MFCD00068204

InChIKey：

PYDSAKVFHVQAAD-UHFFFAOYSA-N

Inchi：

1S/C15H12FNO/c1-11-5-7-12(8-6-11)10-18-15-4-2-3-14(16)13(15)9-17/h2-8H,10H2,1H3

SMILES：

FC1=CC=CC(=C1C#N)OCC1C=CC(C)=CC=1

2-氰基-4-硝基苯胺(175204-09-8)物化性质

实验特性

LogP : 3.58478
PSA : 33.02000
熔点 : 76-78°C
颜色与性状 : 未确定
溶解性 : 未确定

计算特性

精确分子量 : 241.09000
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 3
同位素质量 : 241.090292168g/mol
重原子数量 : 18
复杂度 : 303
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） : 3.6
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 33Å²

2-氰基-4-硝基苯胺(175204-09-8)安全信息

2-氰基-4-硝基苯胺(175204-09-8)海关数据

海关编码：

2926909090

海关数据：

中国海关编码：

2926909090

概述：

2926909090 其他腈基化合物. 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

Summary：

HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-氰基-4-硝基苯胺(175204-09-8)推荐厂家更多厂家(6)

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
JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	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
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
成都化夏化学试剂有限公司(北京公司)	13458535857 400-1166-196	李经理	800101999	询单

2-氰基-4-硝基苯胺(175204-09-8) MSDS

基础信息

Name:	2-Fluoro-6-[(4-methylbenzyl)oxy]benzonitrile 97% Material Safety Data Sheet
Synonym:
CAS:	175204-09-8

Section 1 - Chemical Product ? MSDS Name:2-Fluoro-6-[(4-methylbenzyl)oxy]benzonitrile 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175204-09-8	2-Fluoro-6-[(4-methylbenzyl)oxy]benzon	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
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:

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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 175204-09-8: 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: white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 76 - 78 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: C15H12FNO
Molecular Weight: 241

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 175204-09-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Fluoro-6-[(4-methylbenzyl)oxy]benzonitrile - 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: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 175204-09-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175204-09-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175204-09-8 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A