2-氨基-4-甲基苯甲酰胺

2-氨基-4-甲基苯甲酰胺 基本信息
CAS号 39549-79-6 分子式 C8H10N2O
分子量 150.17800 精确质量  150.07900
PSA  69.11000 LogP  1.95760

基本信息 展开↓

CAS号:
39549-79-6
3D弹球模型:
立即前往扯扯看
分子式:
C8H10N2O
分子量:
150.17800
中文名称:
2-氨基-4-甲基苯甲酰胺
英文名称:
2-Amino-4-methylbenzamide
中文别名:
2-氨基-4-甲基苯甲酰胺;
2-氨基-4-甲基苯甲脒
英文别名:
2-Amino-4-methylbenzamide;
2-Amino-p-toluylsaeure-amid;
2-Amino-4-methyl-benzoesaeure-amid;
4-Methylanthranilamide;
2-amino-4-methyl-benzoic acid amide;
2-azanyl-4-methyl-benzamide;
2-Amino-4-methyl-benzamid;
2-Amino-4-methyl-benzamide
精确分子量/精确质量:
150.07900
极性分子表面积/PSA:
69.11000
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/C8H10N2O/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H2,10,11)

物化性质展开↓

密度:
1.185g/cm3
熔点:
147 °C
沸点:
282.783ºC at 760 mmHg
闪点:
124.823ºC
折射率:
1.616

安全信息展开↓

海关代码:
2924299090
危险类别码:
R20/21/22
安全说明:
S26-S36/37/39-S36/37
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
:
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 1397833-54-3

    (2-amino-4-methylphenyl) (benzotriazole-1-yl)methanone

  • ~92%

  • 39549-79-6

    2-氨基-4-甲基苯甲酰胺

  • 26830-96-6

    2-氨基-4-甲基苯甲腈

  • ~86%

  • 39549-79-6

    2-氨基-4-甲基苯甲酰胺

  • 131002-03-4

    2-bromo-4-methylbenzamide

  • ~64%

  • 39549-79-6

    2-氨基-4-甲基苯甲酰胺

MSDS 展开↓

Name: 2-Amino-4-methylbenzamide 97% Material Safety Data Sheet
Synonym:
CAS: 39549-79-6
Section 1 - Chemical Product   MSDS Name:2-Amino-4-methylbenzamide 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
39549-79-6 2-Amino-4-methylbenzamide 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# 39549-79-6: 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: light brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 142 - 144 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: C8H10N2O
Molecular Weight: 150

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 39549-79-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-4-methylbenzamide - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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# 39549-79-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 39549-79-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 39549-79-6 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:2924299090

概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 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, 包装
摘要/Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:44.24

2、  摩尔体积(cm3/mol):126.6

3、  等张比容(90.2K):345.1

4、  表面张力(dyne/cm):55.1

5、  极化率(10-24cm3):17.53

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:15

6.拓扑分子极性表面积69.1

7.重原子数量:11

8.表面电荷:0

9.复杂度:158

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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