2-氯-6-甲基嘧啶-4,5-二胺

2-氯-6-甲基嘧啶-4,5-二胺 基本信息
CAS号 63211-98-3 分子式 C5H7ClN4
分子量 158.58900 精确质量  158.03600
PSA  77.82000 LogP  1.76520

基本信息 展开↓

CAS号:
63211-98-3
3D弹球模型:
立即前往扯扯看
分子式:
C5H7ClN4
分子量:
158.58900
中文名称:
2-氯-6-甲基嘧啶-4,5-二胺
英文名称:
2-Chloro-6-methylpyrimidine-4,5-diamine
中文别名:
2-氯-6-甲基嘧啶-4,5-二胺;
7H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-;
2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine;
1-(3-chloropropanoyl)pyrrolidine;
2-Pyrimidineacetic acid ethyl ester;
聚乙烯醇缩丁醛;
二甲聚硅氧烷;
二甲硅油;
甲基硅油201-100cs;
硅油;
L-Valine, 3-methyl-, methyl ester, hydrochloride (1:1);
L-tert-leucine methyl ester Hcl;
L-tert.Leucine methyl ester hydrochloride;
H-Tle-OMe·HCl;
L-t-leucine methyl ester hydrochloride;
L-tert-leucine methyl ester hydro-chloride;
1,2,3 tri-o-acetyl-5-deoxy-beta-D-ribofuranose;
5-Deoxy-1,2,3-tri-O-acetyl-D-ribofuranoside;
1,2,3-tri-O-acetyl-5-deoxy-β-D-ribofuranose;
1,2,3-3-O-Acetyl-5-Deoxy-D-Ribofuranose;
1,2,3-Triacetyl-5-deoxy-D-ribose(beta isomer);
1,2,3-tri-O-acetyl-5-deoxy-D-ribofuranose;
1,2,3-triacetyl-5-deoxy-β-D-Ribose;
1,2,3-triacetyl-5-deoxy-β-D-Riboturanose
英文别名:
2-Chloro-6-methylpyrimidine-4,5-diamine;
2-Chlor-6-methyl-pyrimidin-4,5-diyldiamin;
4,5-diamino-2-chloro-6-methylpyrimidine;
2-chloro-6-methyl-pyrimidine-4,5-diyldiamine;
2-Chloro-4,5-diamino-6-methylpyrimidine
精确分子量/精确质量:
158.03600
极性分子表面积/PSA:
77.82000
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:
InChI=1/C5H7ClN4/c1-2-3(7)4(8)10-5(6)9-2/h7H2,1H3,(H2,8,9,10)

物化性质展开↓

密度:
1.459 g/cm3
熔点:
249-252ºC
沸点:
377.1ºC at 760 mmHg
闪点:
181.8ºC
折射率:
1.671

安全信息展开↓

海关代码:
2933599090
危险类别码:
R20/21/22;R36/37/38
安全说明:
S26-S36/37/39
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 7647-01-0

    氯化氢

  • +

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    2-氯-4-胺基-5-硝基-6-甲基嘧啶

  • 63211-98-3

    2-氯-6-甲基嘧啶-4,5-二胺

  • 13162-26-0

    2,4-二氯-5-硝基-6-甲基嘧啶

  • 63211-98-3

    2-氯-6-甲基嘧啶-4,5-二胺

  • 5453-06-5

    2-氯-4-胺基-5-硝基-6-甲基嘧啶

  • 63211-98-3

    2-氯-6-甲基嘧啶-4,5-二胺

MSDS 展开↓

Name: 2-Chloro-6-methylpyrimidine-4 5-diamine 95+% Material Safety Data Sheet
Synonym:
CAS: 63211-98-3
Section 1 - Chemical Product   MSDS Name:2-Chloro-6-methylpyrimidine-4 5-diamine 95+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
63211-98-3 2-Chloro-6-methylpyrimidine-4,5-diamin 95+% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes 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:
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# 63211-98-3: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 250 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H7ClN4
Molecular Weight: 159

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 chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 63211-98-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloro-6-methylpyrimidine-4,5-diamine - 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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
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.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 63211-98-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 63211-98-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 63211-98-3 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: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
摘要/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%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):0.5

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:0

5.互变异构体数量:6

6.拓扑分子极性表面积:77.8

7.重原子数量:10

8.表面电荷:0

9.复杂度:120

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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