N-羟甲基苯甲酰胺

N-羟甲基苯甲酰胺 基本信息
CAS号 6282-02-6 分子式 C8H9NO2
分子量 151.16300 精确质量 　151.06300
PSA 　49.33000 LogP 　0.75710
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
6282-02-6
3D弹球模型：
立即前往扯扯看
分子式：
C8H9NO2
分子量：
151.16300
中文名称：
N-羟甲基苯甲酰胺
英文名称：
N-(Hydroxymethyl)benzamide
中文别名：
N-羟甲基苯甲酰胺;
N-(羟甲基)苯甲酰胺;
NN-Dipropylformamide;
5-chloropentanenitrile;
5-chlorovaIeronitrile;
3-chloropropan-1-aminium;
3-Chloropropylamine HCL;
3-Chloropropylamine hydrochloride;
9,10-Dihydro-9,9-dimethylacridine;
trimethylaminobutyrate;
3-carboxy-N,N,N-trimethylpropan-1-aminium chloride;
(3-CARBOXYPROPYL)TRIMETHYLAMMONIUM CHLORIDE;
tris(2-methylphenyl)phosphine;
but-2-en-1-ol;
6-Mercaptopurine Hydrate;
3,7-Dihydro-6H-Purine-6-Thione Hydrate;
1,4,5,7-Tetrahydro-6H-Purine-6-Thione Hydrate;
7H-Purine-6-Thiolate;
6-mercaptopurine monohydrate;
Acid Blue 90;
Brilliant Blue G;
Tetrachlorothiofene;
tetrachlorothiophene;
Tetrachlorthiofen;
Tetrachlorthiofen [Czech];
Thiophene, tetrachloro-;
N-(2-chloro-4-{[(1E)-(4-chlorophenyl)methylidene]amino}phenyl)-4-{[(1E)-(4-chlorophenyl)methylidene]amino}benzamide;
L(+)-Asparagine monohydrate;
2,9-dimethylisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone;
N,N'-dimethyl-3,4,9,10-perylenedicarboximide;
N,N'-Dimethyl-3,4,9,10-perylene dicarboximide;
Pigment Red 179
英文别名：
N-(Hydroxymethyl)benzamide;
N-Hydroxymethyl-benzamid;
N-Methylolbenzamide;
Benzamidomethanol;
N-Hydroxymethylbenzamide;
benzoylamino-methanol
精确分子量/精确质量：
151.06300
极性分子表面积/PSA：
49.33000
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。
贝尔斯坦号/MDL：
MFCD00014415
EINECS：
228-495-0
BRN：
2045129
InChI：
InChI=1/C8H9NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)

生产制备方法及用途展开↓

用途

有机合成，染料中间体

物化性质展开↓

外观与性状：
白色粉末或晶体
密度：
1.187 g/cm3
熔点：
95-100 °C
沸点：
381ºC at 760 mmHg
闪点：
184.2ºC
折射率：
1.564
存储条件/存储方法：

 避光，阴凉干燥处，密封保存

稳定性相关：

常温常压下稳定，粉末 。

其它信息：

1.       性状：粉末

2.       密度（g/mL,25℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：94-96

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC，18mmHg）：未确定

7.       折射率：未确定

8.       闪点（ºC）：未确定

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（20ºC）：未确定

12.    饱和蒸气压（kPa,60ºC）：未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：未确定

安全信息展开↓

海关代码：
2924299090
WGK_Germany：
1
德国有关水污染物质的分类清单
危险类别码：
R36/37/38
安全说明：
S26-S37/39
危险标志：
Xi:Irritant;

合成路线查看所有的合成路线

  • 55-21-0

    苯甲酰胺

  • →

    ~84%

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    N-羟甲基苯甲酰胺

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    甲醛

  • +

  • 55-21-0

    苯甲酰胺

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    ~72%

  • 6282-02-6

    N-羟甲基苯甲酰胺

  • 50-00-0

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  • 55-21-0

    苯甲酰胺

  • →

    ~56%

  • 6282-02-6

    N-羟甲基苯甲酰胺

  • +

  • 1575-94-6

    N-(benzamidomethyl)benzamide

毒理性展开↓

毒理学数据：

主要的刺激性影响：

在皮肤上面：刺激皮肤和粘膜

在眼睛上面：刺激的影响

致敏作用：没有已知的敏化现象

生态数据：

对水少是稍微危害的，不要让未稀释或大量的产品接触地下水、水道或污水系统

若无政府许可，勿将材料排入周围环境.

MSDS 展开↓

Name: N-(Hydroxymethyl)Benzamide 98% Material Safety Data Sheet
Synonym: Benzamidomethanol
CAS: 6282-02-6
Section 1 - Chemical Product   MSDS Name:N-(Hydroxymethyl)Benzamide 98% Material Safety Data Sheet
Synonym:Benzamidomethanol
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6282-02-6 N-(Hydroxymethyl)Benzamide 98% 228-495-0
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.
Section 4 - FIRST AID MEASURES
  Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Treat symptomatically and supportively.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
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# 6282-02-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 94-96 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H9NO2
Molecular Weight: 151.0685
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 6282-02-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-(Hydroxymethyl)Benzamide - 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: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 6282-02-6: 1
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6282-02-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6282-02-6 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：41.41

2、   摩尔体积（m3/mol）：127.2

3、   等张比容（90.2K）：337.1

4、   表面张力（dyne/cm）：49.2

5、   极化率（10-24cm3）：16.41

计算化学数据

1、   疏水参数计算参考值（XlogP）：0.4

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：2

5、   互变异构体数量：2

6、   拓扑分子极性表面积（TPSA）：49.3

7、   重原子数量：11

8、   表面电荷：0

9、   复杂度：130

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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