621-33-0 (间氨基苯乙醚,3-Ethoxyaniline)

CAS号:
621-33-0
中文名称:
间氨基苯乙醚
英文名称:
3-Ethoxyaniline
安全信息:
分子式:
C8H11NO
分子量:
137.179042100906
管制类

间氨基苯乙醚(621-33-0)名称与标识符

名称

中文别名:
间氨基苯乙醚;间乙氧基苯胺;3-氨基苯乙醚;3-乙氧基苯胺;3-氨基乙氧基苯;
英文别名:
3-Ethoxyaniline;3-Ethoxybenzenamine;Meta-Phenetidine;3-ethoxyphenylamine;Benzenamine,3-ethoxy;EINECS 210-680-2;m-Ethoxyaniline;m-ethoxyphenylamine;m-Phenetidine;3'-AMINOPHENETOL;m-Phenetidine,98%;M-Phenetidine, 98% 25ML;3-Ethoxybenzenamine, 97.5%;3-Ethoxyaniline 98%;621-33-0;NCGC00258550-01;DTXCID705862;A833599;Q27293804;NCGC00091613-01;NCGC00091613-02;AI3-15397;W-105046;NSC-9817;AMY28208;Benzenamine, 3-ethoxy-;DTXSID0025862;UNII-XE9KKL972R;NSC9817;PHENETIDINE, M-;BIDD:GT0168;HMS3039P08;Tox21_200997;Z239604752;3-Ethoxyaniline, 98%;3-ethoxyaniline;m-Phenetidine;CCRIS 4696;3-AMINOPHENYL ETHYL ETHER;EN300-49840;NS00034930;4-13-00-00954 (Beilstein Handbook Reference);SMR001307326;InChI=1/C8H11NO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H;CS-B0033;AKOS000136944;CHEMBL1466168;3-Phenetidine;(3-ethoxyphenyl)amine;s10428;3-ethoxy-aniline;SCHEMBL112380;XE9KKL972R;FT-0629003;MFCD00007785;BRN 0971028;CAS-621-33-0;MLS002303035;NSC 9817;AS-11795;3-ethoxy-phenylamine;3-Ethoxyaniline,98%;DB-054070;aniline, 3-ethoxy-;META-ETHOXYANILINE;3Ethoxybenzenamine;metaPhenetidine;3-AMINOETHOXYBENZENE;Benzenamine, 3ethoxy;mAminoethoxybenzene;methoxyphenylamine;3ethoxyaniline;M-AMINOETHOXYBENZENE;3Aminoethoxybenzene;metaEthoxyaniline;210-680-2;

标识符

MDL:
MFCD00007785
InChIKey:
WEZAHYDFZNTGKE-UHFFFAOYSA-N
Inchi:
1S/C8H11NO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3
SMILES:
O(CC)C1C=CC=C(C=1)N
BRN:
971028

间氨基苯乙醚(621-33-0)物化性质

实验特性

  • LogP : 2.24870
  • PSA : 35.25000
  • 折射率 : n20/D 1.566(lit.)
  • 水溶性 : 0.1-0.5 g/100 mL at 20 ºC
  • 沸点 : 248 °C(lit.)
  • 熔点 : No data available
  • 闪点 : 华氏:235.4 °F
    摄氏:113 °C
  • 颜色与性状 : 棕色透明液体。
  • 稳定性 : Stable. Combustible. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides. Sensitive to prolonged exposure to light and air.
  • 溶解性 : 未确定。
  • 酸度系数(pKa) : 4.18(at 25℃)
  • 密度 : 1.032 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 137.08400
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 137.084064
  • 重原子数量 : 10
  • 复杂度 : 95.3
  • 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) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 35.2

间氨基苯乙醚(621-33-0)安全信息

间氨基苯乙醚(621-33-0)国际标准相关数据

EINECS:
210-680-2

间氨基苯乙醚(621-33-0)海关数据

海关编码:
29222200
海关数据:

中国海关编码:

2922299090

概述:

2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

Summary:

2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

间氨基苯乙醚(621-33-0)生产方法和用途

方法:
由间氨基酚经乙酰化、烷基化、水解、中和而得。1.乙酰化将间氨基酚加入乙酸中,加热回流8h。回收乙酸后,水析,冷后过滤即得乙酰氨基酚([621-42-1])。2.烷基化将乙醇、****、间乙酰氨基酚、溴乙烷加入反应器中,加热回流8h,倒入水中冷却过滤,得间乙酰氨基苯乙醚。3.水解、中和将间乙酰氨基苯乙醚与工业盐酸混合,于水浴加热8h,然后倒入水中,用40%****中和至碱性。分出油层。水溶液用乙醚提取,回收乙醚后与油层一起减压蒸馏,在氮气保护下收集140-144℃(2.0kPa)馏分,即为间乙氧基苯胺。
用途:
用于有机合成。

间氨基苯乙醚(621-33-0)相关文献

间氨基苯乙醚(621-33-0)参考资料

Beilstein:
971028
PubChem CID:

间氨基苯乙醚(621-33-0) MSDS

基础信息

Name:m-Phenetidine 98% Material Safety Data Sheet
Synonym:3-Ethoxybenzenamine; 3-Ethoxyaniline; Aniline, 3-ethoxy-; Benzenamine, 3-ethoxy-; m-Ethoxyanilin
CAS:621-33-0
Section 1 - Chemical Product ? MSDS Name:m-Phenetidine 98% Material Safety Data Sheet
Synonym:3-Ethoxybenzenamine; 3-Ethoxyaniline; Aniline, 3-ethoxy-; Benzenamine, 3-ethoxy-; m-Ethoxyanilin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
621-33-0m-Phenetidine98210-680-2
Hazard Symbols: T
Risk Phrases: 23/24/25 33

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed. Danger of cumulative effects.Cancer suspect agent.Light sensitive.Air sensitive.
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis.
Skin:
May cause skin irritation.
Ingestion:
May be harmful if swallowed. May form methemoglobin which in sufficient concentration causes cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood).
Inhalation:
May be harmful if inhaled. Inhalation of aniline causes anoxia due to the formation of methemoglobin.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. 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 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. Provide ventilation. Place under an inert atmosphere.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale.
Store protected from light. Handle under an inert atmosphere. Store protected from air. Do not breathe vapor.
Storage:
Keep containers tightly closed. Do not expose to air. Store protected from light. Store under an inert atmosphere. Store in a cool, dry 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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 621-33-0: 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 and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Clear liquid
Color: clear brown
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 248 deg C @ 760.00mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: 1.0320g/cm3
Molecular Formula: C8H11NO
Molecular Weight: 137.18

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, exposure to air, excess heat.
Incompatibilities with Other Materials:
Air, acid anhydrides, acid chlorides, acids, chloroformates, direct light, strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 621-33-0: SI5400000 LD50/LC50:
Not available.
Carcinogenicity:
m-Phenetidine - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
? Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: PHENETIDINES
Hazard Class: 6.1
UN Number: 2311
Packing Group: III
IMO
Shipping Name: PHENETIDINES
Hazard Class: 6.1
UN Number: 2311
Packing Group: III
RID/ADR
Shipping Name: PHENETIDINES
Hazard Class: 6.1
UN Number: 2311
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
R 33 Danger of cumulative effects.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 621-33-0: No information available.
Canada
CAS# 621-33-0 is listed on Canada's NDSL List.
CAS# 621-33-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 621-33-0 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A