76-84-6 (三苯甲醇,Triphenyl methanol)

CAS号:
76-84-6
中文名称:
三苯甲醇
英文名称:
Triphenyl methanol
安全信息:
分子式:
C19H16O
分子量:
260.329745292664
简介:
三苯甲醇常温下为固态,是一种白色晶体。
三苯甲醇的多种衍生物是重要的有机染料。
API:

三苯甲醇(76-84-6)名称与标识符

名称

中文别名:
三苯甲醇;羟基三苯基甲烷;胰蛋白胨;胰胳胨;A-羟基三苯基甲醇;三苯基甲醇(三苯甲醇);三苯基甲醇;三苯甲醇(齐多夫定杂质);Triphenylmethanol 三苯基甲醇;齐多夫定杂质D EP标准品;壬基偏苯三酸酯;三苯基甲醇 ,≥99.5;三苯甲醇,三苯基甲醇;洛沙坦杂质G(EP);齐多呋定杂质D(EP) 标准品;非马沙坦杂质L;
英文别名:
Triphenylmethanol;Triphenyl carbinol~Trityl alcohol;Trityl alcohol;Triphenylcarbinol;alpha,alpha-diphenyl-benzenemethanol;Tritanol;BL 3756;diphenyl-phenyl carbinol;Ih-Tetrazole;PH3C-OH;triphenylcarbinole;triphenylmethyl alcohol;Tritylcarbinol;TRT-OH;triphenyl carbinol;Triphenyl methanol;Methanol, triphenyl-;Triphenyl-methanol;Benzenemethanol, .alpha.,.alpha.-diphenyl-;Triphenylmethanol, 97%;U97Q0OU9KB;triphenylmethan-1-ol;tritylalcohol;tri(phenyl)methanol;Ph3COH;Fimasart;NSC 4050;CS-O-05577;Triphenylmethanol, purum, >=98.0% (HPLC);Zidovudine impurity D, European Pharmacopoeia (EP) Reference Standard;NSC4050;Triphenylmethanol, United States Pharmacopeia (USP) Reference Standard;DTXSID0058803;AI3-08929;hydroxytriphenylmethane;alpha,alpha-Diphenylbenzene-methanol;MFCD00004445;CS-W012504;Benzenemethanol, alpha,alpha-diphenyl-;SCHEMBL700;.alpha.,.alpha.-Diphenyl-benzylalcohol;Triphenylmethyl-containing compound, 13;131612-90-3;Q2735403;TRIPHENYLCARBINOL [MI];SY025338;Trityl alcohol resin (100-200 mesh, 1.2-2.0 mmol/g);ZIDOVUDINE IMPURITY D [WHO-IP];H11234;Q-201895;Trityl alcohol resin (100-200 mesh, 2.1-4.0 mmol/g);Zidovudine impurity D;Fimasartan Impurity L;LOSARTAN POTASSIUM IMPURITY G [EP IMPURITY];Z3018664754;BDBM23784;EINECS 200-988-5;Spa-S-345;AM85903;Benzenemethanol, ?,?-diphenyl-;A838866;ZIDOVUDINE IMPURITY D [EP IMPURITY];AR-360/42760202;InChI=1/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H;BP-12571;AS-11948;CHEMBL118166;UNII-U97Q0OU9KB;EN300-1654565;76-84-6;T0516;Olmesartan trityl alcohol;LZTRCELOJRDYMQ-UHFFFAOYSA-;CUPRICFLUOROSILICATE;NSC-4050;TRIPHENYLMETHANOL [USP-RS];AKOS002265728;U-45483;FT-0631329;STK370823;F1908-0150;MFCD10565638;NS00037849;Triphenylmethanol,98%;Triphenylcarbinol, Trityl alcohol;CHEBI:228440;DB-056145;

标识符

MDL:
MFCD00004445
InChIKey:
LZTRCELOJRDYMQ-UHFFFAOYSA-N
Inchi:
1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
SMILES:
OC(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
BRN:
1460837

三苯甲醇(76-84-6)物化性质

实验特性

  • LogP : 3.97080
  • PSA : 20.23000
  • Merck : 9739
  • 折射率 : 1.6220 (estimate)
  • 水溶性 : 不溶
  • 沸点 : 360 °C(lit.)
  • 熔点 : 160-163 °C (lit.)
  • 蒸气压 : 0.0±0.9 mmHg at 25°C
  • 闪点 : 360-380°C
  • 溶解度 : dioxane: 0.1 g/mL, clear
  • 颜色与性状 : 片状晶体。
  • 稳定性 : Stable. Combustible. Incompatible with oxidizing agents, acids, acid chlorides, acid anhydrides.
  • 溶解性 : 不溶于水和石油醚,溶于乙醇、乙醚、丙酮、苯,溶于浓硫酸显黄色,溶于冰乙酸时无色
  • 密度 : d40 1.199

计算特性

  • 精确分子量 : 260.12000
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 3
  • 同位素质量 : 260.120115
  • 重原子数量 : 20
  • 复杂度 : 235
  • 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) : 3.7
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 20.2

三苯甲醇(76-84-6)国际标准相关数据

EINECS:
4050

三苯甲醇(76-84-6)海关数据

海关编码:
29062900
海关数据:

中国海关编码:

29062900

三苯甲醇(76-84-6)合成路线

合成路线:1 步
反应条件:
参考文献:
Single electron transfer initiated thermal reactions of arylmethyl halides. Part 14. The reaction of triphenylmethyl halides with tributylphosphine and tributylamine in apolar solvents
Huszthy, Peter; Izso Gergacz, Gyongyi; Lempert, Karoly; Kajtar-Peredy, Maria; Gyor, Miklos; et al, Journal of the Chemical Society, 1989, (1989), 1513-20
合成路线:1 步
反应条件:
参考文献:
Acid catalyzed and thermal rearrangements of 1-(α-branched alkoxy) naphthalenes
Bandatmakuru, Sreenivasula Reddy; Amasa, Srinivasulu Reddy; Arava, Veera Reddy; Subha, M. C. S., Pharma Chemica, 2014, 6(2), 299-311

三苯甲醇(76-84-6)相关文献

三苯甲醇(76-84-6)参考资料

Reaxys RN:
1460837
Beilstein:
1460837
PubChem CID:

三苯甲醇(76-84-6) MSDS

基础信息

Name:Triphenylmethanol 97% Material Safety Data Sheet
Synonym:Triphenylcarbinol; Trityl alcoho
CAS:76-84-6
Section 1 - Chemical Product ? MSDS Name:Triphenylmethanol 97% Material Safety Data Sheet
Synonym:Triphenylcarbinol; Trityl alcoho

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
76-84-6Triphenylmethanol97.0200-988-5
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:
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:
None

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.
Skin:
Get medical aid if irritation develops or persists. Flush skin with plenty of soap and water.
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.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
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:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 76-84-6: 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 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: Powder
Color: beige
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 380 deg C @ 760.00mmHg
Freezing/Melting Point: 164.2 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: 1.199
Molecular Formula: C19H16O
Molecular Weight: 260.32

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Acids - acid chlorides - acid anhydrides - oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 76-84-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Triphenylmethanol - 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# 76-84-6: 2
Canada
CAS# 76-84-6 is listed on Canada's DSL List.
CAS# 76-84-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 76-84-6 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A