5418-32-6 (靛酚钠盐,2,5-Cyclohexadien-1-one,4-[(4-hydroxyphenyl)imino]-, sodium salt (1:1))

快速询单

结构式：

靛酚钠盐MOL文件

CAS号：

5418-32-6

中文名称：

靛酚钠盐

英文名称：

2,5-Cyclohexadien-1-one,4-[(4-hydroxyphenyl)imino]-, sodium salt (1:1)

分子式：

C₁₂H₈NNaO₂

分子量：

221.187193870544

靛酚钠盐(5418-32-6)名称与标识符

名称

中文别名：

靛酚钠盐;

英文别名：

2,5-Cyclohexadien-1-one,4-[(4-hydroxyphenyl)imino]-, sodium salt (1:1);INDOPHENOL SODIUM SALT;4-(p-hydroxyphenyl)-2,5-cyclohexadiene-1-onesodiumsalt;4-[(4-Sodiooxyphenyl)imino]-2,5-cyclohexadien-1-one;5-cyclohexadien-1-one,4-(p-hydroxyphenyl)imino-sodiumsalt;5-cyclohexadien-1-one,4-[(4-hydroxyphenyl)imino]-sodiumsalt;N-(4-sodiooxyphenyl)-p-benzoquinone monoimine;SODIUM BENZENONEINDOPHENOL;sodium;4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate;4-(p-Hydroxyphenyl)-2,5-cyclohexadiene-1-one sodium salt;Indophenol sodium salt, suitable as redox indicator;2,5-Cyclohexadien-1-one, 4-(p-hydroxyphenyl)imino-, sodium salt;UNII-685KL7Z565;Sodium, [p-[(4-oxo-2,5-cyclohexadien-1-ylidene)amino]phenoxy]-;sodium 4-[(4-oxo-1-cyclohexa-2,5-dienylidene)amino]phenolate;FT-0635689;CHEMBL3276935;sodium 4-(4-oxocyclohexa-2,5-dienylideneamino)phenolate;2,5-Cyclohexadien-1-one, 4-((4-hydroxyphenyl)imino)-, sodium salt (1:1);5418-32-6;2,5-Cyclohexadien-1-one, 4-[(4-hydroxyphenyl)imino]-, sodium salt;NSC 10440;NSC-10440;Indophenol, sodium salt;EINECS 226-524-1;AKOS024364994;685KL7Z565;indophenol sodium;NS00080601;2,5-Cyclohexadien-1-one, 4-((4-hydroxyphenyl)imino)-, sodium salt;DTXSID6063856;

标识符

InChIKey：

FRUIYGAEJNTDCA-UHFFFAOYSA-M

Inchi：

1S/C12H9NO2.Na/c14-11-5-1-9(2-6-11)13-10-3-7-12(15)8-4-10;/h1-8,14H;/q;+1/p-1

SMILES：

[Na+].[O-]C1C=CC(=CC=1)/N=C1\C=CC(C=C\1)=O

靛酚钠盐(5418-32-6)物化性质

实验特性

LogP : 2.59800
PSA : 52.49000
沸点 : 360°Cat760mmHg
闪点 : 171.5°C
密度 : 1.18

计算特性

精确分子量 : 221.04500
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 221.045
重原子数量 : 16
复杂度 : 321
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 : 2
拓扑分子极性表面积 : 52.5Å²

靛酚钠盐(5418-32-6)海关数据

海关编码：

2925290090

海关数据：

中国海关编码：

2925290090

概述：

2925290090 其他亚胺及其衍生物，以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。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：

2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

靛酚钠盐(5418-32-6)相关文献

1. Index of subjects
J. Chem. Soc. Abstr. 1908 94 B1219

靛酚钠盐(5418-32-6) MSDS

基础信息

Name:	Indophenol Sodium Salt 95% (UV-Vis) Material Safety Data Sheet
Synonym:	4-(P-Hydroxyphenyl)-2,5-Cyclohexadiene-1-One Sodium Salt
CAS:	5418-32-6

Section 1 - Chemical Product ? MSDS Name:Indophenol Sodium Salt 95% (UV-Vis) Material Safety Data Sheet
Synonym:4-(P-Hydroxyphenyl)-2,5-Cyclohexadiene-1-One Sodium Salt

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
5418-32-6	2,5-Cyclohexadien-1-One, 4-(4-Hydroxyp	95	226-524-1

Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. 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:
No information found.

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. Wash clothing before reuse.
Ingestion:
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 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 agent most appropriate to extinguish fire. 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:
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 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# 5418-32-6: 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:
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: Powder
Color: green to black powder
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C12H8NNaO2
Molecular Weight: 221.19

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide, sodium oxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 5418-32-6: GU5780000 LD50/LC50:
Not available.
Carcinogenicity:
2,5-Cyclohexadien-1-One, 4-(4-Hydroxyphenyl)iminO-, Sodium salt - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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: 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
Risk Phrases:
R 22 Harmful if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable 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# 5418-32-6: No information available.
Canada
CAS# 5418-32-6 is listed on Canada's DSL List.
CAS# 5418-32-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5418-32-6 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A