64910-46-9 (3-氨基-4-(甲基氨基)苯甲腈,3-Amino-4-(methylamino)benzonitrile)

CAS号:
64910-46-9
中文名称:
3-氨基-4-(甲基氨基)苯甲腈
英文名称:
3-Amino-4-(methylamino)benzonitrile
分子式:
C8H9N3
分子量:
147.177160978317

3-氨基-4-(甲基氨基)苯甲腈(64910-46-9)名称与标识符

名称

中文别名:
3-氨基-4-(甲胺基)苯腈;3-氨基-4-(甲基氨基)苯甲腈;
英文别名:
3-Amino-4-(methylamino)benzonitrile;Benzonitrile,3-amino-4-(methylamino)-;3-Amino-4-methylamino-benzonitril;3-amino-4-methylamino-benzonitrile;4-Methylamino-3-aminobenzonitril;ZZVVQSAUJWSQBV-UHFFFAOYSA-N;SBB086545;ZB007713;EN002347;3-amino-4-(methylamino)benzenecarbonitrile;AB0026051;3-azanyl-4-(methylamino)benzenecarbonitrile;ST2404879;W7635;PS-4420;CS-0105576;DTXSID60381524;FT-0614954;AKOS009158995;MFCD03407328;AC-26490;A834918;SY029481;Z425853148;64910-46-9;EN300-85559;SCHEMBL1161036;DB-004355;

标识符

MDL:
MFCD03407328
InChIKey:
ZZVVQSAUJWSQBV-UHFFFAOYSA-N
Inchi:
1S/C8H9N3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,11H,10H2,1H3
SMILES:
N(C)C1C=CC(C#N)=CC=1N

3-氨基-4-(甲基氨基)苯甲腈(64910-46-9)物化性质

实验特性

  • LogP : 1.83638
  • PSA : 61.84000
  • 折射率 : 1.593
  • 沸点 : 346.7℃ at 760 mmHg
  • 熔点 : 139 °C
  • 蒸气压 : 0.0±0.7 mmHg at 25°C
  • 闪点 : 154.5±18.4 °C
  • 颜色与性状 : No data avaiable
  • 密度 : 1.1±0.1 g/cm3

计算特性

  • 精确分子量 : 147.08000
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 147.08
  • 重原子数量 : 11
  • 复杂度 : 169
  • 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) : 0.9
  • 拓扑分子极性表面积 : 61.8

3-氨基-4-(甲基氨基)苯甲腈(64910-46-9)海关数据

海关编码:
2926909090
海关数据:

中国海关编码:

2926909090

概述:

2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 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

Summary:

HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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3-氨基-4-(甲基氨基)苯甲腈(64910-46-9) MSDS

基础信息

Name:3-Amino-4-(methylamino)benzonitrile 90+% Material Safety Data Sheet
Synonym:
CAS:64910-46-9
Section 1 - Chemical Product ? MSDS Name:3-Amino-4-(methylamino)benzonitrile 90+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
64910-46-93-Amino-4-(methylamino)benzonitrile90+%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.Air sensitive.Moisture sensitive.
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.
Store under nitrogen.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 64910-46-9: 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: 136 - 140 deg C(decom)
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: C8H9N3
Molecular Weight: 147.18

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, moisture, exposure to air, contact with water.
Incompatibilities with Other Materials:
Acids, strong oxidizing agents, alcohols.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, ammonia.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 64910-46-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Amino-4-(methylamino)benzonitrile - 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# 64910-46-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 64910-46-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 64910-46-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A