disodium chromotropate | 129-96-4

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: disodium chromotropate
• 英文别名: chromotropic acid, disodium salt；4,5-dihydroxy-2,7-naphthalenedisulphonic acid disodium salt；4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt；Sodium;4,5-dihydroxynaphthalene-2,7-disulfonate
• CAS: 129-96-4
• 化学式: C₁₀H₆O₈S₂*2Na
• 分子量: 364.264
• InChiKey: UPYOFRGSTDARPV-UHFFFAOYSA-L

物化性质

• 熔点：
  >300 °C(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.23
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  172
• 氢给体数：
  2
• 氢受体数：
  8

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2908999090
• 安全说明：
  S26,S36

SDS

Name:	4 5-Dihydroxynaphthalene-2 7-Disulfonic Acid Disodium Salt Material Safety Data Sheet
Synonym:	1,8-Dihydroxynaphthalene-3,6-disulfonic acid, disodium salt, dihydrate; Chromotropic acid, disodium salt, dihydrate
CAS:	129-96-4

Section 1 - Chemical Product MSDS Name:4 5-Dihydroxynaphthalene-2 7-Disulfonic Acid Disodium Salt Material Safety Data Sheet
Synonym:1,8-Dihydroxynaphthalene-3,6-disulfonic acid, disodium salt, dihydrate; Chromotropic acid, disodium salt, dihydrate

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
129-96-4	Chromotropic acid, disodium salt, dihy	>90	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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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:
Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Provide ventilation.

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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 breathing dust.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 129-96-4: CAS# 5808-22-0: 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:
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: off-white to gray-beige
Odor: practically odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 300 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: C10H6O8S2Na2.2H2O
Molecular Weight: 400.28

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation, excess heat, excess light.
Incompatibilities with Other Materials:
Strong oxidizing agents, acid chlorides, acid anhydrides.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, sodium oxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 129-96-4 unlisted.
CAS# 5808-22-0 unlisted.
LD50/LC50:
Not available.
Not available.
Carcinogenicity:
Chromotropic acid, disodium salt, anhydrous - Not listed by ACGIH, IARC, or NTP.
Chromotropic acid, disodium salt, dihydrate - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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

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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.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 129-96-4: 1
CAS# 5808-22-0: No information available.
Canada
CAS# 129-96-4 is listed on Canada's DSL List.
CAS# 129-96-4 is not listed on Canada's Ingredient Disclosure List.
CAS# 5808-22-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 129-96-4 is listed on the TSCA inventory.
CAS# 5808-22-0 is not on the TSCA Inventory because it is a hydrate.
It is considered to be listed if the CAS number for the anhydrous form
is on the inventory (40CFR720.3(u)(2)).

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  disodium chromotropate 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.41h， 生成
  参考文献：
  名称：

  Georghiou, Paris E.; Ho, Chi Keung (Jimmy), Canadian Journal of Chemistry, 1989, vol. 67, p. 871 - 876

  摘要：

  DOI：
• 作为产物：
  描述：

  reactive violet 1 在 laccase-conjugated amino-functionalized nanosilica 作用下， 以 aq. acetate buffer 为溶剂， 反应 12.0h， 生成 sodium 3-chloro-4,5-dihydroxybenzene sulfonate 、 3-氨基-4-羟基苯磺酸钠 、 4-chloro-1,3,5-triazine-2-ol 、 disodium chromotropate
  参考文献：
  名称：

  Laccase-conjugated amino-functionalized nanosilica for efficient degradation of Reactive Violet 1 dye

  摘要：

  用纳米结构固定酶可增强其理想特性，从而使酶变得更加稳定和耐受。本研究涉及漆酶纳米二氧化硅共轭物的配方，以克服其稳定性和可重复使用性方面的问题。合成的纳米二氧化硅和漆酶纳米颗粒呈球形，平均粒径分别为 220 纳米和 615 纳米。漆酶纳米粒子氧化 ABTS 的最佳温度为 55 ℃ ，pH 值为 4.0。在第 20 个循环之前，纳米漆酶保留了 79% 的剩余活性。在较低温度下，即使经过 60 天，它也能显示出 91% 的初始活性。纳米漆酶颗粒被用于降解活性紫 1，在 pH 值为 5.0 和温度为 30 ℃ 的条件下，在 12 h 内获得了 96.76% 的脱溶剂率。对微生物和植物的毒性研究表明，降解后的代谢物比对照染料的毒性低。因此，该固定化方法提高了漆酶的贮存稳定性和重复利用率，可用于高效降解偶氮染料。

  DOI：

  10.1007/s40089-017-0215-1

文献信息

• 一种制备H-酸的装置
  申请人：江苏吉华化工有限公司

  公开号：CN105566171B

  公开（公告）日：2017-06-16

  本发明公开了一种制备H‑酸的装置，该装置包括磺化装置、硝化装置、脱硝装置、萃取装置、还原装置、浓缩装置、稀释装置、离析和过滤装置、干燥装置，磺化装置的出口与硝化装置的进口连接，硝化装置的出口与脱硝装置的进口连接，脱硝装置的出口与萃取装置的进口连接，萃取装置的第一出口与还原装置的进口连接，还原装置的出口与浓缩装置的进口连接，浓缩装置的出口与稀释装置的进口连接，稀释装置的出口与离析和过滤装置的第一进口连接，离析和过滤装置的出口与干燥装置的进口连接，萃取装置的第二出口与离析和过滤装置的第二进口连接。该制备装置采用连续生产的方法制成H‑酸，生产效率高，节约物料，降低经济成本。
• Mechanistic Studies on the Biomimetic Reduction of Tetrahydroxynaphthalene, a Key Intermediate in Melanin Biosynthesis.
  作者：Koji ICHINOSE、Yutaka EBIZUKA、Ushio SANKAWA

  DOI：10.1248/cpb.49.192

  日期：——

  1,3,6,8-Tetrahydroxynaphthalene (T4HN) is an aromatic polyketide, serving as a general precursor of fungal melanin. Melanin biosynthesis involves two consecutive deoxygenations of T4HN, consisting of the reduction of a phenolic carbon followed by dehydration. The first reduction to produce scytalone was studied in a biomimetic reduction with sodium borohydride. The reduction required a strong alkaline

  1,3,6,8-四羟基萘（T4HN）是一种芳香族聚酮化合物，是真菌黑色素的一般前体。黑色素的生物合成涉及T4HN的两个连续脱氧，包括酚碳的还原和脱水。在用硼氢化钠的仿生还原中研究了首次生成双降戟的还原。还原需要强碱性条件，导致T4HN互变异构化成反应性物质，其结构已通过NMR光谱得以阐明。
• Complexations of amines with water-soluble cyclotetrachromotropylene
  作者：Bo-Long Poh、Seng Lim Chooi

  DOI：10.1016/s0040-4020(01)81534-9

  日期：1990.1

  The water-soluble cyclic tetramer, cyclotetrachromotropylene (1), forms 1:1 complexes with amines and tetraalkylammonium cations in water when it is deprotonated.

  水溶性环状四聚体，环四苯并二甲苯（1）在去质子化时与胺和四烷基铵阳离子在水中形成1：1的配合物。
• Dispersion of single-walled carbon nanotubes into aqueous solutions using Poh's cyclotetrachromo-tropylene (CTCT)
  作者：Paris E. Georghiou、Gopikishore Valluru、Celine Schneider、Shuai Liang、Kathleen Woolridge、Karimulla Mulla、Alex Adronov、Yuming Zhao

  DOI：10.1039/c4ra03471f

  日期：——

  Poh's cyclotetrachromotropylene (CTCT), a water-soluble cyclic oligomeric dihydroxynaphthalenedisulfonate, was found to be capable of selectively dispersing single-walled carbon nanotubes (SWCNTs) into the aqueous phase.

  Poh的环四聚色环戊二醇基萘二磺酸盐（CTCT）被发现能够选择性地将单壁碳纳米管（SWCNTs）分散到水相中。
• Spectroscopic studies on some azo compounds and their cobalt, copper and nickel complexes
  作者：Mamdouh.S. Masoud、Ekram A. Khalil、Ahmed M. Hindawy、Alaa E. Ali、Eman F. Mohamed

  DOI：10.1016/j.saa.2004.01.019

  日期：2004.10

  [o-carboxy phenylazo] moiety of barbituric acid, thiobarbituric acid, thiouracil, citrazinic acid, and disodium chromotropate and their complexes derived from cobalt (II), nickel (II), and copper (II) salts were done. The stereochemistry and the mode of bonding of the complexes were achieved based on elemental analysis, NMR, UV-Vis, IR and ESR. The dissociation constants of the free azo ligands are evaluated

  合成和表征了巴比妥酸，硫代巴比妥酸，硫尿嘧啶，柑桔酸和邻苯二甲酸二钠二钠的[o-羧基苯基偶氮]部分及其衍生自钴（II），镍（II）和铜（II）盐的配合物。基于元素分析，NMR，UV-Vis，IR和ESR，实现了配合物的立体化学和键合方式。通过分光光度法评估游离偶氮配体的解离常数。