5-乙酰基-6-甲基-2-氧代-1,2-二羟基吡啶-3-甲腈

5-乙酰基-6-甲基-2-氧代-1,2-二羟基吡啶-3-甲腈 基本信息
CAS号 52600-53-0 分子式 C9H8N2O2
分子量 176.17200 精确质量  176.05900
PSA  73.98000 LogP  1.16988

基本信息 展开↓

CAS号:
52600-53-0
3D弹球模型:
立即前往扯扯看
分子式:
C9H8N2O2
分子量:
176.17200
中文名称:
5-乙酰基-6-甲基-2-氧代-1,2-二羟基吡啶-3-甲腈
英文名称:
5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
中文别名:
5-乙酰基-6-甲基-2-氧代-1,2-二羟基吡啶-3-甲腈;
5-乙酰-2-羟基-6-甲基烟碱;
5-乙酰基-6-甲基-2-羟基吡啶-3-甲腈
英文别名:
5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile;
5-acetyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile;
5-acetyl-6-methyl-1,2-dihydro-2-oxo-3-pyridinecarbonitrile;
5-Acetyl-2-hydroxy-6-methylnicotinonitrile;
5-acetyl-2-hydroxy-6-methylpyridine-3-carbonitrile;
5-acetyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile;
3-cyano-5-acetyl-6-methylpyridin-2(1H)-one;
5-acetyl-1,2-dihydro-6-methyl-2-oxonicotinonitrile
精确分子量/精确质量:
176.05900
极性分子表面积/PSA:
73.98000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: BPHCKZKXAHIRPD-UHFFFAOYSA-N

物化性质展开↓

密度:
1.25g/cm3
熔点:
233-235ºC
沸点:
359.4ºC at 760mmHg
折射率:
1.546

安全信息展开↓

海关代码:
2933399090
危险类别码:
R20/21/22
安全说明:
S36/37
危险标志:
Xi

合成路线查看所有的合成路线

  • 18856-72-9

    3-(dimethylaminomethylidene)pentane-2,4-dione

  • +

  • 41808-21-3

    sodium salt of α-cyanoacetamide

  • ~92%

  • 52600-53-0

    5-乙酰基-6-甲基-2-氧代-1,2-二羟基吡啶-3-甲腈

  • 33884-41-2

    3-乙氧亚甲基-2,4-戊二酮

  • +

  • 41808-21-3

    sodium salt of α-cyanoacetamide

  • ~86%

  • 52600-53-0

    5-乙酰基-6-甲基-2-氧代-1,2-二羟基吡啶-3-甲腈

  • 4637-24-5

    N,N-二甲基甲酰胺二甲基缩醛

  • +

  • 123-54-6

    乙酰丙酮

  • +

  • 107-91-5

    氰乙酰胺

  • ~45%

  • 52600-53-0

    5-乙酰基-6-甲基-2-氧代-1,2-二羟基吡啶-3-甲腈

MSDS 展开↓

Name: 5-Acetyl-6-methyl-2-oxo-1 2-dihydropyridine-3-carbonitrile 97% Material Safety Data Sheet
Synonym: 5-Acetyl-3-cyano-6-methyl-2-pyridon
CAS: 52600-53-0
Section 1 - Chemical Product   MSDS Name:5-Acetyl-6-methyl-2-oxo-1 2-dihydropyridine-3-carbonitrile 97% Material Safety Data Sheet
Synonym:5-Acetyl-3-cyano-6-methyl-2-pyridon

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
52600-53-0 5-Acetyl-6-methyl-2-oxo-1,2-dihydropyr 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# 52600-53-0: 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: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 226 - 228 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: C9H8N2O2
Molecular Weight: 176

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 52600-53-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Acetyl-6-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile - 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# 52600-53-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 52600-53-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 52600-53-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 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
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

上下游相关产品

上游产品

更多
  • 4637-24-5

    N,N-二甲基甲酰胺二甲基缩醛

  • 123-54-6

    乙酰丙酮

  • 107-91-5

    氰乙酰胺

  • 18856-72-9

    3-(dimethylaminomethylidene)pentane-2,4-dione

  • 18670-46-7

    3-[(dimethylamino)methylenyl]-2,4-pentanedione

下游产品

更多
  • 88302-06-1

    5-乙酰-6-甲基-2-氧代-1H-吡啶-3-羧酸

  • 88296-61-1

    美多力农

  • 52600-60-9

    5-乙酰基-6-甲基-2-氧代-1,2-二氢-3-吡啶羧胺

  • 5220-65-5

    5-乙酰基-6-甲基-2(1H)-吡啶酮

  • 136117-46-9

    5-乙酰基-3-溴-6-甲基-2(1H)-吡啶酮

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便