96-77-5 (苯酚二磺酸试液(药典),PHENOLDISULFONIC ACID,4-Hydroxy-1,3-benzenedisulfonic Acid)

CAS号:
96-77-5
中文名称:
苯酚二磺酸试液(药典),PHENOLDISULFONIC ACID
英文名称:
4-Hydroxy-1,3-benzenedisulfonic Acid
分子式:
C6H6O7S2
分子量:
254.237639904022

苯酚二磺酸试液(药典),PHENOLDISULFONIC ACID(96-77-5)名称与标识符

名称

中文别名:
4-羟基-1,3-苯二磺酸;苯酚二磺酸;5-羟基-4-辛酮;苯酚-2,4-二磺酸;苯酚二磺酸试液(药典),PHENOLDISULFONIC ACID;
英文别名:
1,3-Benzenedisulfonicacid, 4-hydroxy-;4-Hydroxy-1,3-benzenedisulfonic acid;4-hydroxybenzene-1,3-disulfonic acid;1-Hydroxy-2,4-disulfobenzene;1-phenol-2,4-disulfonic acid;2,4-disulfophenol;2,4-phenoldisulfonic acid;4-Hydroxy-benzene-1,3-disulfonic acid;4-Hydroxy-benzol-1,3-disulfonsaeure;4-Hydroxy-m-benzenedisulfonic acid;Phenol-2,4-disulfonic acid;phenol-2,4-disulphonic acid;Phenoldisulfonic acid;4-Hydroxy-1,3-benzenedisulfonic acid (ACI);m-Benzenedisulfonic acid, 4-hydroxy- (7CI, 8CI);Phenoldisulfonic acid (6CI);NSC 227947;NSC 9798;SCHEMBL671358;4Hydroxymbenzenedisulfonic acid;4Hydroxybenzene1,3disulphonic acid;mBenzenedisulfonic acid, 4hydroxy (8CI);4-hydroxybenzene-1,3-disulfonicacid;NSC9798;MFCD00152742;m-Benzenedisulfonic acid, 4-hydroxy-;DB-295318;NS00022911;NSC-9798;4Hydroxy1,3benzenedisulfonic acid;EINECS 202-533-6;UNII-JX563959R8;1,3-Benzenedisulfonic acid, 4-hydroxy-;NSC-227947;JXBUOZMYKQDZFY-UHFFFAOYSA-N;1Hydroxy2,4disulfobenzene;PHENOLDISULFONIC ACID [MI];Q27281729;AKOS000672270;Phenol-2,4-disulfonsaure;1phenol2,4disulfonic acid;4-Hydroxybenzene-1,3-disulphonic acid;JX563959R8;1,3Benzenedisulfonic acid, 4hydroxy;Phenol2,4disulfonic acid;96-77-5;DTXSID2059140;m-Benzenedisulfonic acid, 4-hydroxy-(8CI);(2Z)-3-methoxy-5-methyl-4-oxo-hexa-2,5-dienoic acid;mBenzenedisulfonic acid, 4hydroxy;DTXCID3048990;

标识符

MDL:
MFCD00152742
InChIKey:
JXBUOZMYKQDZFY-UHFFFAOYSA-N
Inchi:
1S/C6H6O7S2/c7-5-2-1-4(14(8,9)10)3-6(5)15(11,12)13/h1-3,7H,(H,8,9,10)(H,11,12,13)
SMILES:
O=S(C1C=C(S(O)(=O)=O)C(O)=CC=1)(O)=O

苯酚二磺酸试液(药典),PHENOLDISULFONIC ACID(96-77-5)物化性质

实验特性

  • LogP : 2.04720
  • PSA : 145.73000
  • 折射率 : 1.6550 (estimate)
  • 沸点 : 367.45°C (rough estimate)
  • 熔点 : >99.85°C
  • 闪点 : °C
  • 密度 : 1.606 (estimate)

计算特性

  • 精确分子量 : 253.95500
  • 氢键供体数量 : 3
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 2
  • 同位素质量 : 253.955
  • 重原子数量 : 15
  • 复杂度 : 411
  • 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) : 无
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 146A^2

苯酚二磺酸试液(药典),PHENOLDISULFONIC ACID(96-77-5)安全信息

苯酚二磺酸试液(药典),PHENOLDISULFONIC ACID(96-77-5)海关数据

海关编码:
2908999090
海关数据:

中国海关编码:

2908999090

概述:

2908999090 其他酚及酚醇的卤化等衍生物(包括其磺化、硝化或亚硝化衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 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:

2908999090 halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or phenol-alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

苯酚二磺酸试液(药典),PHENOLDISULFONIC ACID(96-77-5)合成路线

合成路线:1 步
反应条件:
参考文献:
Synthesis, identification and study of electrical conductivity of the doped copolymer carbazole-phenol formaldehyde
Salih, Roza A., Arabian Journal of Chemistry, 2014, 7(5), 747-751
合成路线:1 步
反应条件:
参考文献:
Preparation and determination of hydroxybenzene disulfonic acid metal complexes
Yang, Guang; Wang, Tong-xu; Zhang, Xiao-lei, Jingxi Yu Zhuanyong Huaxuepin, 2011, 19(3), 25-27
合成路线:1 步
反应条件:
参考文献:
Aromatic sulfonation. Part 91. The sulfonation of anisole, phenol, phenyl methanesulfonate, potassium phenyl sulfate, and a series of methyl-, bromo-, and chloro-substituted anisoles and phenols in concentrated aqueous sulfuric acid
Cerfontain, Hans; Lambrechts, Hans J. A.; Schaasberg-Nienhuis, Zwaan R. H.; Coombes, Robert G.; Hadjigeorgiou, Panicos; et al, Journal of the Chemical Society, 1985, (1985), 659-67
合成路线:1 步
反应条件:
参考文献:
o-Bromophenol
Huston, Ralph C.; Ballard, Murel M., Organic Syntheses, 1934, 14, 14-16
合成路线:1 步
参考文献:
Process for producing acyloxybenzenesulfonic acid or salt thereof
, World Intellectual Property Organization, , ,
合成路线:1 步
参考文献:
Aromatic sulfonation. 106. On the intermediacy of phenyl hydrogen sulfates in the sulfonation of phenols. Sulfonation of phenol, anisole, methyl phenyl sulfate, the 2-halophenols, a series of phenyl methanesulfonates together with 2,6-dimethylaniline and its N-methylsulfonyl derivative
De Wit, Peter; Woldhuis, Alex F.; Cerfontain, Hans, Recueil des Travaux Chimiques des Pays-Bas, 1988, 107(12), 668-75
合成路线:1 步
参考文献:
Aromatic sulfonation. 103. Sulfonation and sulfation on reaction of 1,2-dihydroxybenzene and its methyl ethers in concentrated aqueous sulfuric acid
Cerfontain, Hans; Coenjaarts, Norbert J.; Koeberg-Telder, Ankie, Recueil des Travaux Chimiques des Pays-Bas, 1988, 107(4), 325-30
合成路线:1 步
参考文献:
Orientation during substitution in an aromatic series. XX. Isomerization of phenolsulfonic acids
Khelevin, R. N.; Spryskov, A. A., Izvestiya Vysshikh Uchebnykh Zavedenii, 1968, 11(10), 1139-42
合成路线:1 步
反应条件:
参考文献:
Aromatic sulfonation. Part 93. Sulfonation of the three tert-butylphenols, four di-tert-butylphenols, and 2,4,6,-tri-tert-butylphenol
Lambrechts, Hans J. A.; Mul, John; Cerfontain, Hans, Journal of the Chemical Society, 1985, (1985), 677-82

苯酚二磺酸试液(药典),PHENOLDISULFONIC ACID(96-77-5)相关文献

苯酚二磺酸试液(药典),PHENOLDISULFONIC ACID(96-77-5) MSDS

基础信息

Name:Phenol disulfonic acid solution Material Safety Data Sheet
Synonym:Non
CAS:96-77-5
Section 1 - Chemical Product ? MSDS Name:Phenol disulfonic acid solution Material Safety Data Sheet
Synonym:Non

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
96-77-5Phenol disulfonic acid solution25%202-533-6
Hazard Symbols: C
Risk Phrases: 35

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Causes severe burns.Corrosive.Water-reactive.
Potential Health Effects
Eye:
Contact with liquid is corrosive to the eyes and causes severe burns. May cause eye injury.
Skin:
Contact with liquid is corrosive and causes severe burns and ulceration.
Ingestion:
May cause severe gastrointestinal tract irritation with nausea, vomiting and possible burns. May cause corrosion and permanent tissue destruction of the esophagus and digestive tract.
Inhalation:
Causes chemical burns to the respiratory tract. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.
Chronic:
Repeated inhalation may cause chronic bronchitis. Repeated exposure may cause erosion of teeth.

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. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. Reacts violently with water.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Use extinguishing media most appropriate for the surrounding fire. If water is the only media available, use in flooding amounts.

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. Cover with sand, dry lime or soda ash and place in a closed container for disposal. Isolate area and deny entry. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Avoid contact with clothing and other combustible materials. Do not get on skin or in eyes. Do not ingest or inhale.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 96-77-5: CAS# 7664-93-9: United States OSHA: 1 mg/m3 TWA Belgium - TWA: 1 mg/m3 VLE Belgium - STEL: 3 mg/m3 VLE France - VME: 1 mg/m3 VME France - VLE: 3 mg/m3 VLE Germany: 0.5 mg/m3 TWA (inhalable fraction, battery manufacture, metal working in a close Japan: 1 mg/m3 Ceiling Malaysia: 1 mg/m3 TWA Netherlands: 1 mg/m3 MAC Russia: 1 mg/m3 TWA Spain: 1 mg/m3 VLA-ED Spain: 3 mg/m3 VLA-EC 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 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: Liquid
Color: light pink
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: Reacts with water.
Specific Gravity/Density: 1.40
Molecular Formula: Mixture
Molecular Weight: 0

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, combustible materials.
Incompatibilities with Other Materials:
Bases; halides; metals; carbides; chlorates; fulminates; nitrates; picrates; cyanides; alkali halides; nitrites; zinc iodide; permanganates; hydrogen peroxide; azides; perchlorates; nitromethane; phosphorus. Sulfuric acid reacts violently with water; cyclopentadiene; cyclopentanone oxime; nitroaryl amines; hexalithium disilicide; phosphorous (III) oxide.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 96-77-5 unlisted.
CAS# 7664-93-9: WS5600000 LD50/LC50:
Not available.
CAS# 7664-93-9: Draize test, rabbit, eye: 250 ug Severe; Inhalation, mouse: LC50 = 320 mg/m3/2H; Inhalation, mouse: LC50 = 320 mg/m3; Inhalation, rat: LC50 = 510 mg/m3/2H; Inhalation, rat: LC50 = 510 mg/m3; Oral, rat: LD50 = 2140 mg/kg.
Carcinogenicity:
Phenol disulfonic acid solution - Not listed by ACGIH, IARC, or NTP.
Sulfuric acid - ACGIH: A2 - Suspected Human Carcinogen (contained in strong inorg California: carcinogen, initial date 3/14/03 (listed as Strong inorgan NTP: Known carcinogen (listed as Strong inorganic acid mists co IARC: Group 1 carcinogen Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: PHENOLSULPHONIC ACID, LIQUID
Hazard Class: 8
UN Number: 1803
Packing Group: II
IMO
Shipping Name: PHENOLSULPHONIC ACID, LIQUID
Hazard Class: 8
UN Number: 1803
Packing Group: II
RID/ADR
Shipping Name: PHENOLSULPHONIC ACID, LIQUID
Hazard Class: 8
UN Number: 1803
Packing group: II
USA RQ: CAS# 7664-93-9: 1000 lb final RQ; 454 kg final RQ

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 35 Causes severe burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 30 Never add water to this product.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 96-77-5: No information available.
CAS# 7664-93-9: 2
Canada
CAS# 96-77-5 is listed on Canada's NDSL List.
CAS# 7664-93-9 is listed on Canada's DSL List.
CAS# 96-77-5 is not listed on Canada's Ingredient Disclosure List.
CAS# 7664-93-9 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 96-77-5 is listed on the TSCA inventory.
CAS# 7664-93-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A