85-47-2 (1-萘磺酸,Naphthalene-1-sulfonic Acid (Technical Grade))

快速询单

结构式：

1-萘磺酸MOL文件

CAS号：

85-47-2

中文名称：

1-萘磺酸

英文名称：

Naphthalene-1-sulfonic Acid (Technical Grade)

安全信息：

分子式：

C₁₀H₈O₃S

分子量：

208.233721733093

简介：

1-萘磺酸是一种化学物质，分子式是C10H8SO3。

1-萘磺酸(85-47-2)名称与标识符

名称

中文别名：

1-萘磺酸;α-萘磺酸;a-萘磺酸;加米霉素;萘-1-磺酸;

英文别名：

Naphthalene-1-sulfonic acid;1-Naphthalenesulfonic acid, dihydrate;naphthalene-1-sulphonic acid;1-Naphthalenesulfonic Acid;1-naphthalenesulphonic acid;1-Naphthyl sulfonic acid;1-Sulfonaphthalene;a-Naphthalenesulfonic acid;HT 907;SULFONATED NAPHTHALENE;naphtalenesulfonic acid;HT-907;A841338;1-NAPHTHALENESULFONIC ACID [MI];Q10395591;68412-23-7;EINECS 270-177-9;AC-18225;DTXSID7048033;VZW67VII75;EN300-19780;naphthalene-alpha-sulphonic acid;W-109309;MFCD00003987;1-Naphthalenesulfonic acid, >50%;Naphthalene-1-Sulfonic Acid Anion;UNII-0SJH61WM2J;68153-01-5;.alpha.-Naphthalenesulfonic acid;1-naphthalenemonosulfonate;Naphthalene sulfonic acid (a-);a-naphthalene sulfonic acid;AKOS009031607;C13420;0SJH61WM2J;CHEMBL1160029;CHEBI:30895;CS-0238578;InChI=1/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13);EINECS 246-676-2;naphthalenesulfonic acid;4-(5-CARBOXY-PYRIDIN-2-YL)-PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTER;25155-19-5;Naphthalene, sulfonated;EINECS 268-860-1;NAPHTHALENE, MONOSULFONATED;PSZYNBSKGUBXEH-UHFFFAOYSA-;Naphthalenesulphonic acid;SCHEMBL4323;naphthalene sulfonic acid;EINECS 201-610-1;85-47-2;Naphthalene sulfonic acid (a);alpha-Naphthalenesulfonic acid;UNII-VZW67VII75;FT-0631399;naphthalen-1-sulfonsyre;1-Naphthylsulfonic acid;α-Naphthalenesulfonic acid;NS00006554;DB-019281;1-Naphthalenesulfonicacid;DTXCID209777;Naphthalene1sulphonic acid;Naphthalene sulfonic acid, alpha;Naphthalene-1-sulfonic Acid (Technical Grade);alphanaphthalenesulfonic acid;

标识符

MDL：

MFCD00003987

InChIKey：

PSZYNBSKGUBXEH-UHFFFAOYSA-N

Inchi：

1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)

SMILES：

O=S(C1C2C(=CC=CC=2)C=CC=1)(O)=O

1-萘磺酸(85-47-2)物化性质

实验特性

LogP : 3.16730
PSA : 62.75000
Merck : 14,6376
折射率 : 1.4998 (estimate)
水溶性 : 易溶
沸点 : 317.43°C (rough estimate)
熔点 : 77-79 °C (lit.)
闪点 : 380.2ºC
溶解度 : alcohol: freely soluble
颜色与性状 : 棱柱状白色结晶，从稀盐酸中重结晶含2分子结晶水
溶解性 : 易溶于水和乙醇，微溶于乙醚
密度 : 1.3797 (rough estimate)

计算特性

精确分子量 : 208.01900
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 208.019
重原子数量 : 14
复杂度 : 291
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） : 1.9
表面电荷 : 0
拓扑分子极性表面积 : 54.4

1-萘磺酸(85-47-2)安全信息

符号： GHS05
WGK Germany： 1
安全术语： 8
安全说明： S26-S36/37/39-S45-S28A
包装等级： III
风险术语： R34
危险品标志： C
危险品运输编号： UN 2583 8/PG 2
危害声明：H290-H314
警示性声明：P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
储存条件： Keep container closed when not in use. Corrosives area. Store in a cool, dry area away from incompatible substances.
PackingGroup： III
危险类别码： 35
信号词： Danger
HazardClass： 8

1-萘磺酸(85-47-2)国际标准相关数据

EINECS：

201-610-1

1-萘磺酸(85-47-2)海关数据

海关编码：

29041000

海关数据：

中国海关编码：

2904100000

概述：

2904100000 仅含磺基的衍生物及其盐和乙酯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%

申报要素：

品名, 成分含量, 用途

Summary：

2904100000 derivatives containing only sulpho groups, their salts and ethyl esters。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

1-萘磺酸(85-47-2)推荐厂家更多厂家(62)

公司名称	手机号/电话	联系人	QQ	询单
湖北拓邦化工有限公司	15102763473 027-59106185	涂梦婷	1400868822/1248089955	询单
武汉鑫伟烨化工有限公司	18502781673 18502781673	张经理	359501377	询单
湖北摆渡化学有限公司	13517219350 13517219350	彭星	1400878899	询单
湖北广奥生物科技有限公司	13657291602 13657291602	郭银	1098480033	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
湖北方德新材料有限公司	18086096695	邱经理	1462312301	询单
天门恒昌化工有限公司	15102714773 027-59322316	雷经理	1178380033	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
湖北万得化工有限公司	15827180502 027-59210159	陈丹丹	1148980033	询单
湖北永阔科技有限公司	18771920143 027-59223108	郭经理	1248580055	询单

1-萘磺酸(85-47-2)合成路线

合成路线：1 步

91-20-3

_99%

85-47-2

反应条件：

1.1 Reagents: Acetic anhydride , Sulfuric acid ; 3.5 - 4 h, 60 - 75 °C

参考文献：

Preparation of high purity α-naphthol

Guseinov, N. I.; et al, Azerbaidzhanskii Khimicheskii Zhurnal, 2008, (3), 50-55

合成路线：1 步

91-20-3

_92%

85-47-2

反应条件：

1.1 Reagents: Sodium bisulfite Catalysts: Dipyridinium dichromate ; 5.5 min, 2 bar, 100 °C

参考文献：

Cornforth and Corey-Suggs reagents as efficient catalysts for sulfonation of aromatic and heteroaromatic compounds using NaHSO3 under solvent free and microwave conditions

Fatima, Touheeth; et al, Phosphorus, 2020, 195(12), 1001-1006

合成路线：1 步

90-14-2

_71%

85-47-2

反应条件：

1.1 Reagents: Cesium carbonate , Thiourea dioxide Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethyl sulfoxide ; 14 h, 100 °C

参考文献：

Sustainable access to sulfonic acids from halides and thiourea dioxide with air

Zhang, Hui; et al, Green Chemistry, 2020, 22(23), 8238-8242

合成路线：1 步

85-46-1

_85%

85-47-2

反应条件：

1.1 Reagents: Tosyl chloride , Diisopropylethylamine Solvents: Dichloromethane
1.2 Reagents: Trifluoroacetic acid Solvents: Dichloromethane

参考文献：

Exploiting Differences in Solution vs Solid-Supported Reactivity for the Synthesis of Sulfonic Acid Derivatives

Hari, Anitha; et al, Organic Letters, 1999, 1(13), 2109-2111

合成路线：2 步

120-18-3

85-47-2

反应条件：

1.1 Reagents: Water Solvents: Water
2.1 Reagents: Sulfuric acid

参考文献：

Kinetics of naphthalene sulfonation in sulfuric acid solutions

Serwinski, Mieczyslaw; et al, Inzynieria Chemiczna i Procesowa, 1987, 8(1), 81-90

合成路线：1 步

91-20-3

_90%

85-47-2

120-18-3

反应条件：

1.1 Reagents: Sulfuric acid ; rt → 150 °C; 150 °C → 165 °C; 2.5 h, 165 °C

参考文献：

Research on the key technology of polynaphthalene sulphonate preparation

Li, Yun, Advanced Materials Research (Zuerich, 2011, 217, 217-218

合成路线：1 步

91-20-3

_71%

85-47-2

13250-03-8

反应条件：

1.1 Reagents: Phosphorus pentoxide , Sodium bisulfate ; 3 h, rt

参考文献：

Mechanochemical sulfonation of aromatic compounds using NaHSO4·H2O/P2O5

Zuo, Lu-Lu; et al, Journal of Chemical Research, 2021, 45(11-12), 942-949

合成路线：1 步

110524-17-9

85-47-2

791-28-6

反应条件：

1.1 Reagents: Sodium ethoxide Solvents: Water

参考文献：

Effect of the triphenylphosphonium group on electrophilic substitution in the naphthalene series

Bukachuk, O. M.; et al, Zhurnal Obshchei Khimii, 1986, 56(8), 1789-94

合成路线：1 步

反应条件：

1.1 Reagents: Manganese triacetate , Potassium pyrosulfite Solvents: 1,1,1,3,3,3-Hexafluoro-2-propanol ; 2 h, rt

参考文献：

Homolytic Aromatic Sulfonation with K2S2O5 Promoted by a Combination of Mn(OAc)3·2H2O and HFIP

Han, Bingxu; et al, Journal of Organic Chemistry, 2022, 87(11), 7124-7135

合成路线：1 步

1243323-51-4

85-47-2

294-90-6

反应条件：

1.1 Solvents: Water-d2 ; 1 h, pH 7.4, 25 °C

参考文献：

Photolysis of the sulfonamide bond of metal complexes of N-dansyl-1,4,7,10-tetraazacyclododecane in aqueous solution: a mechanistic study and application to the photorepair of cis,syn-cyclobutane thymine photodimer

Aoki, Shin; et al, Chemistry - An Asian Journal, 2009, 4(4), 561-573

合成路线：1 步

1243334-77-1

85-47-2

120095-33-2

反应条件：

1.1 Solvents: Water-d2 ; 1 h, pH 7.4, 25 °C

参考文献：

Aoki, Shin; et al, Chemistry - An Asian Journal, 2009, 4(4), 561-573

合成路线：1 步

91-20-3

85-47-2

84-87-7

反应条件：

1.1 Reagents: 2,4,6-Trimethylbenzenesulfonic acid Solvents: Mesitylene

参考文献：

Sulfonating agent and process

, World Intellectual Property Organization, , ,

合成路线：2 步

10111-22-5

85-47-2

791-28-6

反应条件：

1.1 Reagents: Sulfuric acid Solvents: Chloroform
2.1 Reagents: Sodium ethoxide Solvents: Water

参考文献：

Effect of the triphenylphosphonium group on electrophilic substitution in the naphthalene series

Bukachuk, O. M.; et al, Zhurnal Obshchei Khimii, 1986, 56(8), 1789-94

合成路线：3 步

反应条件：

1.1 Catalysts: Nickel dichloride
2.1 Reagents: Sulfuric acid Solvents: Chloroform
3.1 Reagents: Sodium ethoxide Solvents: Water

参考文献：

Effect of the triphenylphosphonium group on electrophilic substitution in the naphthalene series

Bukachuk, O. M.; et al, Zhurnal Obshchei Khimii, 1986, 56(8), 1789-94

合成路线：1 步

_70%

反应条件：

1.1 Reagents: Trifluoroacetic anhydride , Sulfuric acid ; 3 h, 0 °C; 10 min, -50 °C
1.2 Solvents: Water ; 0 °C

参考文献：

Clean-chemistry sulfonation of aromatics

Corby, Brian W.; et al, Journal of Chemical Research, 2002, (7), 326-327

合成路线：1 步

参考文献：

Product subclass 1: arenesulfonic acids and arenesulfonate salts

Fravel, B.; et al, Science of Synthesis, 2007, 31, 739-773

1-萘磺酸(85-47-2)上下游

6-氯-2-萘磺酰氯

1-萘磺酸(85-47-2)相关文献

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1-萘磺酸(85-47-2) MSDS

基础信息

Name:	1-Naphthalenesulfonic acid dihydrate 94% (titr.) Material Safety Data Sheet
Synonym:
CAS:	85-47-2

Section 1 - Chemical Product ? MSDS Name:1-Naphthalenesulfonic acid dihydrate 94% (titr.) Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
85-47-2	1-Naphthalenesulfonic acid, tech., 70%		201-610-1

Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Contact with eyes may cause severe irritation, and possible eye burns.
Skin:
May cause severe irritation and possible burns.
Ingestion:
Not available.
Inhalation:
May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
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.
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.
Extinguishing Media:
Not available.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal.

Section 7 - HANDLING and STORAGE
? Handling:
Not available.
Storage:
Not available.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 85-47-2: Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Crystalline powder
Color: gray, fine
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 70-80 C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: freely soluble in water
Specific Gravity/Density:
Molecular Formula: C10H8O3S.2H2O
Molecular Weight: 244.27

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 85-47-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Naphthalenesulfonic acid, tech., 70% - 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: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
WGK (Water Danger/Protection)
CAS# 85-47-2: No information available.
Canada
CAS# 85-47-2 is listed on Canada's DSL List.
CAS# 85-47-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 85-47-2 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A