596-01-0 (甲萘酚酞,α-Naphtholphthalein)

CAS号:
596-01-0
中文名称:
甲萘酚酞
英文名称:
α-Naphtholphthalein
安全信息:
分子式:
C28H18O4
分子量:
418.440127849579

甲萘酚酞(596-01-0)名称与标识符

名称

中文别名:
甲萘酚酞;α-萘酚酞,一萘酚酞;1-萘酚酞;α-萘酚酞;1-萘酚酞 指示剂;3,3'-双(4-羟基-1-萘基)-1(3H)-异苯并呋喃酮;alpha-Naphtholphthalein α-萘酚酞;3,3-双(4-羟基-1-萘基)苯酞;α-萘酚酞,1-萘酚夫酞,3,3-双(4-羟基-1-萘基)苯酞;alpha-萘酚酞;
英文别名:
Alpha-Naphtholphthalein;3,3-bis(4-hydroxy-1-naphthyl)phthalide;1-Naphtholphthalein;3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one;3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one;alpha-Naphtholphthalein,indicator,pure1GR;alpha-Naphtholphthalein,indicator,pure25GR;alpha-Naphtholphthalein,indicator,pure5GR;Propane,2-chloro-2-nitro-;α-Naphtholphthalein;^a-Naphtholphthalein;3,3-Bis(4-hydroxy-1-naphthyl)-phthalide;alpha-Naphtholphthalein, indicator, pure;alpha-Naphtholphthalein, pure, indicator;IND;p-α-Naphtholphthalein;Naphtholphthalein;a-naphtholphthalein;2QEG1706NN;1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-1-naphthalenyl)-;naphtholphthalein blue;alpha-Naphtholphtalein;.alpha. Naphtholphthalein;.alpha.-Naphtholphthaleine;HQHBAGKIEAO;a-Naphtolphtalein;3,3-BIS(4-HYDROXY-1-NAPHTHYL)-1,3-DIHYDROISOBENZOFURAN-1-ONE;UNII-2QEG1706NN;1,1'-NAPHTHOL-4,4'-PHTHALEIN;EINECS 209-875-5;alpha -Naphtholphthalein;MFCD00036202;N0062;D91631;596-01-0;AMY37396;AKOS015903153;alpha-Naphtholphthalein, practical grade;.ALPHA.-NAPHTHOLPHTHALEIN [MI];3,3-Bis(4-hydroxy-1-naphthyl)-2-benzofuran-1(3H)-one #;3,3-bis(4-hydroxynaphthalen-1-yl)-1,3-dihydro-2-benzofuran-1-one;3,3-Bis(4-hydroxy-1-naphthyl)isobenzofuran-1(3H)-one;P-.ALPHA.-NAPHTHOLPHTHALEIN;DTXSID70208273;HQHBAGKIEAOSNM-UHFFFAOYSA-N;NS00034196;SY057353;CS-0128741;N0031;Q413919;3,3-Bis(4-hydroxynaphthalenyl)-1(3H)-isobenzofuranone;FT-0632479;A832379;DI-P-.ALPHA.-NAPHTHOLPHTHALIDE;SCHEMBL63922;BS-43770;DB-053422;HY-W087913;STL453765;3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1(3H)-one;

标识符

MDL:
MFCD00036202
InChIKey:
HQHBAGKIEAOSNM-UHFFFAOYSA-N
Inchi:
1S/C28H18O4/c29-25-15-13-23(17-7-1-3-9-19(17)25)28(22-12-6-5-11-21(22)27(31)32-28)24-14-16-26(30)20-10-4-2-8-18(20)24/h1-16,29-30H
SMILES:
O1C(C2C=CC=CC=2C1(C1=CC=C(C2C=CC=CC1=2)O)C1=CC=C(C2C=CC=CC1=2)O)=O

甲萘酚酞(596-01-0)物化性质

实验特性

  • LogP : 5.86650
  • PSA : 66.76000
  • Merck : 6389
  • 折射率 : 1.6400 (estimate)
  • 水溶性 : Soluble in ethanol. Insoluble in water.
  • 沸点 : 496.21°C (rough estimate)
  • 熔点 : 238-240 °C (lit.)
  • 闪点 : 247.0±26.4 °C
  • 溶解度 : Solubility Practically insoluble in water; soluble in ethanol
  • 颜色与性状 : 不可用
  • 溶解性 : 不可用
  • 酸度系数(pKa) : 8.0, 8.2, 8.5(at 25℃)
  • 最大波长(λmax) : 648nm
  • 酸碱指示剂变色ph值范围 : 7.1(brownish)-8.3(blue/green)
  • 密度 : 1.1532 (rough estimate)

计算特性

  • 精确分子量 : 418.12100
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 418.121
  • 重原子数量 : 32
  • 复杂度 : 668
  • 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) : 6.3
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 66.8

甲萘酚酞(596-01-0)国际标准相关数据

EINECS:
209-875-5

甲萘酚酞(596-01-0)海关数据

海关编码:
32041900
海关数据:

中国海关编码:

2932209090

概述:

2932209090. 其他内酯. 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:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

甲萘酚酞(596-01-0)生产方法和用途

用途:
用作酸碱指示剂,PH值6.7左右时为无色~桔黄色,PH值7.9左右时由橘黄变为蓝色。市售品中含杂质者多呈淡红色,于PH值7.3~8.7时由淡红色变为蓝绿色。
生产方法:
1.由邻苯二甲酸酐与α-萘酚及氯化锌加热至100℃~110℃时制成。同时伴生副产物,经分离而得。 2.将1-萘酚和苯酐分别研细,按理论量混合后与浓硫酸一起搅拌成绿色粘稠状,维持温度在60℃ ( 不超过65℃)下19h,进行缩合反应: 冷却后粉碎,用冰水浸泡成松散状黄色粉末,用水洗涤,甩干。用1%****溶液溶解,并加热至60℃,趁热过滤,滤液冷却后用1∶ 1盐酸溶液在10℃以下中和至呈酸性,析出的结晶在低温下干燥,即得成品。

甲萘酚酞(596-01-0)相关文献

甲萘酚酞(596-01-0)参考资料

Reaxys RN:
97816
Beilstein:
18(1)384
PubChem CID:

甲萘酚酞(596-01-0) MSDS

基础信息

Name:alpha-Naphtholphthalein indicator Material Safety Data Sheet
Synonym:
CAS:596-01-0
Section 1 - Chemical Product ? MSDS Name:alpha-Naphtholphthalein indicator Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
596-01-0Alpha-naphtholphthalein, indicator100.00209-875-5
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Dust may cause mechanical irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause digestive tract disturbances. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:
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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 596-01-0: 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 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: gray to brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 238.00 - 240.00 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C28H18O4
Molecular Weight: 418.45

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 596-01-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Alpha-naphtholphthalein, indicator - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 596-01-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 596-01-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 596-01-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A