698-29-3 (4-氨基-2-甲基-5-腈,4-Amino-2-methylpyrimidine-5-carbonitrile)

快速询单

结构式：

4-氨基-2-甲基-5-腈MOL文件

CAS号：

698-29-3

中文名称：

4-氨基-2-甲基-5-腈

英文名称：

4-Amino-2-methylpyrimidine-5-carbonitrile

分子式：

C₆H₆N₄

分子量：

134.13863992691

4-氨基-2-甲基-5-腈(698-29-3)名称与标识符

名称

中文别名：

2-甲基-4-氨基嘧啶-5-腈;4-氨基-5-氰基-2-甲基嘧啶;4-氨基-2-甲基-5-腈;4-氨基-2-甲基-5-嘧啶甲腈;

英文别名：

4-Amino-2-methylpyrimidine-5-carbonitrile;4-Amino-5-cyano-2-methylpyrimidine;5-Pyrimidinecarbonitrile,4-amino-2-methyl-;C6H6N4;5-Cyano-4-amino-2-methylpyrimidine;NSC 459;Pynitrile;5-Pyrimidinecarbonitrile, 4-amino-2-methyl-;4-Amino-2-methyl-5-pyrimidinecarbonitrile;YBPNIILOUYAGIF-UHFFFAOYSA-N;NSC459;PubChem6987;RSCBB000248;EBD41607;2-Methyl-4-amino-5-cyan-pyrimidin;RSC002950;BBL028175;STL299658;SBB055897;0807AC;4-amino-5-cyano-2;SCHEMBL584580;148812-29-7;NS00001063;SY060379;NSC-459;UNII-EH6ED3UPV9;FT-0617467;4-Amino-2-methyl-5-pyrimidinecarbonitrile #;EH6ED3UPV9;CS-W013382;EINECS 211-814-2;AM-807/25050012;EC 211-814-2;698-29-3;J-514339;4-amino-2-methyl-pyrimidine-5-carbonitrile, AldrichCPR;rel-trans-Silandrin;DTXSID90220093;Q63396097;Z444840554;2-METHYL-4-AMINO-5-CYANOPYRIMIDINE;4-amino-5-cyano-2-methyl-pyrimidine;BCP29739;AB03160;AMY15217;MFCD00084875;CS-4345;EN300-43710;A12284;Pynitrile;4-Amino-5-cyano-2-methylpyrimidine;4-amino-2-methyl-pyrimidine-5-carbonitrile;AKOS004121488;pyrimidine, 4-amino-5-cyano-2-methyl-;ALBB-014474;DB-015422;

标识符

MDL：

MFCD00084875

InChIKey：

YBPNIILOUYAGIF-UHFFFAOYSA-N

Inchi：

1S/C6H6N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,1H3,(H2,8,9,10)

SMILES：

N1C(C)=NC=C(C#N)C=1N

4-氨基-2-甲基-5-腈(698-29-3)物化性质

实验特性

LogP : 0.82008
PSA : 75.59000
水溶性 : Slightly soluble in water (6.4 g/L at 25°C). Soluble in dimethyl sulfoxide, ethanol and methanol.
沸点 : 315.6℃ at 760 mmHg
熔点 : 250-251 ºC (分解)
闪点 : 144.7 °C
溶解度 : 微溶 (6.4 g/L) (25 ºC),
颜色与性状 : 灰白的-黄色结晶固体
密度 : 1.27±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 134.05900
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 0
同位素质量 : 134.059
重原子数量 : 10
复杂度 : 158
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） : 0.5
互变异构体数量 : 3
表面电荷 : 0
拓扑分子极性表面积 : 75.6

4-氨基-2-甲基-5-腈(698-29-3)安全信息

安全术语： S36/37
安全说明： S36/37
风险术语： R20/21/22
危险品标志： Xn
危害声明：H302+H312+H332-H315-H319-H335
警示性声明：P261-P280-P305+P351+P338
储存条件： Keep in dark place,Inert atmosphere,2-8°C(BD3543)
危险类别码： 22-37/38-41
信号词： Warning
HazardClass： 6.1

4-氨基-2-甲基-5-腈(698-29-3)国际标准相关数据

EINECS：

211-814-2

4-氨基-2-甲基-5-腈(698-29-3)海关数据

海关编码：

2933599090

海关数据：

中国海关编码：

2933599090

概述：

2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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

Summary：

2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-氨基-2-甲基-5-腈(698-29-3)推荐厂家更多厂家(31)

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4-氨基-2-甲基-5-腈(698-29-3)相关文献

1. A novel ‘tent-like’ structure of a copper(I) aggregate. The crystal and molecular structure of nona[N-(diethoxythiophosphoryl)-N′-phenylisothioureato]decacopper(I) perchlorate
Margaret L. Niven,Panos Kyriacou,Tomasz A. Modro J. Chem. Soc. Dalton Trans. 1988 1915

4-氨基-2-甲基-5-腈(698-29-3)参考资料

Beilstein：

MFCD00084875

PubChem CID：

69682

4-氨基-2-甲基-5-腈(698-29-3) MSDS

基础信息

Name:	4-Amino-2-methylpyrimidine-5-carbonitrile 97% Material Safety Data Sheet
Synonym:
CAS:	698-29-3

Section 1 - Chemical Product ? MSDS Name:4-Amino-2-methylpyrimidine-5-carbonitrile 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
698-29-3	4-Amino-2-methylpyrimidine-5-carbonitr	97%	211-814-2

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# 698-29-3: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 249 - 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: C6H6N4
Molecular Weight: 134

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 cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 698-29-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Amino-2-methylpyrimidine-5-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# 698-29-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 698-29-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 698-29-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A