139-59-3 (4-氨基二苯醚,4-Phenoxyaniline)

CAS号:
139-59-3
中文名称:
4-氨基二苯醚
英文名称:
4-Phenoxyaniline
安全信息:
分子式:
C12H11NO
分子量:
185.221843004227

4-氨基二苯醚(139-59-3)名称与标识符

名称

中文别名:
4-氨基二苯醚;4-苯氧基苯胺;4-氨基二苯;4-氨基苯二苯醚;4-氨基二苯醚(4-苯氧基苯胺);4-苯氧基苯胺,97%;4-氨基二苯醚, 98%+;
英文别名:
4-Phenoxyaniline;4-Aminophenyl phenyl ether;4-aminodiphenyl ether;p-Phenoxyaniline;4-Amino-1-phenoxybenzene;4-phenoxyanilin;4-Phenoxybenzenamine;4-phenoxy-phenylamine;Aniline,p-phenoxy;Benzenamine,4-phenoxy;p-Aminophenyl phenyl ether;Bidizole;Amidozole;NSC 139593;AKOS B019893;AKOS AUF02007;4-Phenoxaniline;p-phenoxy-anilin;AKOS BBS-00003565;Benzenamine, 4-phenoxy-;4-Aminodifenylether;Aniline, p-phenoxy-;4-Aminobiphenyl ether;4-Aminodiphenylether;Ether, 4-aminophenyl phenyl;4-phenoxyphenylamine;4-Aminodifenylether [Czech];WOYZXEVUWXQVNV-UHFFFAOYSA-N;WLN: ZR DO;AKOS000103555;BRD-K85539327-001-01-4;4-Phenoxyaniline(Chunks or pellets);para-phenoxyaniline;HMS1473P08;NCGC00175907-01;P0981;4-Phenoxyaniline, 97%;Oprea1_328270;4-phenyloxyaniline;4-phenoxy-phenyl amine;p-phenoxy aniline;SCHEMBL159084;UNII-44P7PAW368;DTXSID8059687;AS-15655;NS00024511;SR-01000393015-1;139-59-3;NSC61131;4-Phenoxyaniline(Chunks or pellets or Flake);4-(phenyloxy)aniline;4-phenoxy-aniline;4-(phenoxy)aniline;CL8445;CHEMBL249550;WLN: ZR DOR;NSC 4629;ChemDiv3_000338;NSC4629;NSC-4629;CS-W020611;4-Amino Diphenyl Ether;MFCD00007862;44P7PAW368;ANILINE, 4-PHENOXY-;A807567;EN300-17937;Z57124586;FT-0602155;CCG-103474;NSC-61131;BDBM50334276;SR-01000393015;NSC-57084;W-108213;CCRIS 3561;EINECS 205-367-2;(4-phenoxyphenyl)amine;NSC57084;BIDD:GT0348;BENZENAMINE, P-PHENOXY-;BB 0221228;4-phenoxy aniline;AC-14414;F0020-1798;BRN 0777708;IDI1_019656;STK041542;DB-032327;205-367-2;DTXCID6034506;

标识符

MDL:
MFCD00007862
InChIKey:
WOYZXEVUWXQVNV-UHFFFAOYSA-N
Inchi:
1S/C12H11NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2
SMILES:
O(C1C=CC=CC=1)C1C=CC(=CC=1)N
BRN:
0777708

4-氨基二苯醚(139-59-3)物化性质

实验特性

  • LogP : 3.64230
  • PSA : 35.25000
  • 折射率 : 1.5300 (estimate)
  • 水溶性 : < 1 g/L (20 ºC)
  • 沸点 : 320°C/30mmHg(lit.)
  • 熔点 : 83.0 to 87.0 deg-C
  • 闪点 : 155.8 ºC
  • 颜色与性状 : 棕色至绿色-棕色结晶 片 或粉末
  • 密度 : 1.0936 (rough estimate)

计算特性

  • 精确分子量 : 185.08400
  • 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 : 185.084064
  • 重原子数量 : 14
  • 复杂度 : 158
  • 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) : 2.9
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 35.2

4-氨基二苯醚(139-59-3)国际标准相关数据

EINECS:
3561

4-氨基二苯醚(139-59-3)海关数据

海关编码:
2922299090
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%

4-氨基二苯醚(139-59-3)生产方法和用途

用途:
用作染料中间体

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4-氨基二苯醚(139-59-3)上下游

4-氨基二苯醚(139-59-3)相关文献

4-氨基二苯醚(139-59-3)参考资料

Reaxys RN:
777708
Beilstein:
13,438
PubChem CID:

4-氨基二苯醚(139-59-3) MSDS

基础信息

Name: 4-Phenoxyaniline 97% Material Safety Data Sheet
Synonym: 4-Aminophenyl phenyl ethe
CAS: 139-59-3
Section 1 - Chemical Product ? MSDS Name:4-Phenoxyaniline 97% Material Safety Data Sheet
Synonym:4-Aminophenyl phenyl ethe

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
139-59-3 4-Phenoxyaniline 97% 205-367-2
Hazard Symbols: XN N
Risk Phrases: 22 40 43 50/53

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed. Limited evidence of a carcinogenic effect. May cause sensitization by skin contact. Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material.
May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Possible risk of irreversible effects.

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:
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.
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:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Do not allow water to get into the container because of violent reaction. 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# 139-59-3: 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: Crystalline powder
Color: brown - green
Odor: weak odor
pH: Not available.
Vapor Pressure: 13.3 hPa @180 deg C
Viscosity: Not available.
Boiling Point: 140 deg C @3hPa
Freezing/Melting Point: 82-86 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 385 deg C
Solubility in water: <1g/l in water (20C)
Specific Gravity/Density:
Molecular Formula: C12H11NO
Molecular Weight: 185.22

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 139-59-3: BY7930000 LD50/LC50:
CAS# 139-59-3: Draize test, rabbit, eye: 100 mg/24H Moderate; Draize test, rabbit, skin: 500 mg/24H Mild.
Carcinogenicity:
4-Phenoxyaniline - 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: 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 N
Risk Phrases:
R 22 Harmful if swallowed.
R 40 Limited evidence of a carcinogenic effect.
R 43 May cause sensitization by skin contact.
R 50/53 Very toxic to aquatic organisms, may cause
long-term adverse effects in the aquatic environment.
Safety Phrases:
S 24 Avoid contact with skin.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
S 61 Avoid release to the environment. Refer to
special instructions/safety data sheets.
WGK (Water Danger/Protection)
CAS# 139-59-3: No information available.
Canada
CAS# 139-59-3 is listed on Canada's NDSL List.
CAS# 139-59-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 139-59-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A