91-00-9 (二苯甲胺,diphenylmethanamine)

CAS号:
91-00-9
中文名称:
二苯甲胺
英文名称:
diphenylmethanamine
安全信息:
分子式:
C13H13N
分子量:
183.249023199081
简介:
二苯甲胺(Diphenylmethanamine)强碱性。在空气中能吸收二氧化碳而形成一种在91℃时熔融的物质,有机合成和医药中间体。

二苯甲胺(91-00-9)名称与标识符

名称

中文别名:
二苯甲胺;氨基二苯甲烷;甲基胺二苯;二苯甲胺 OR 氨基二苯甲烷;1,1-二苯基甲胺;Α-氨基二苯基甲烷;Α-苯基苯甲胺;二苯甲基胺;Benzhydrylamine; 二苯甲基胺;氨基二苯基甲烷;α-氨基二苯甲烷;二本甲胺;
英文别名:
Diphenylmethanamine;Benzhydrylamine;Phenylbenzenemethanamine;alpha-phenyl-benzenemethanamin;alpha-phenylbenzenemethanamine;alpha-Phenylbenzylamine;Benzenemethanamine, alpha-phenyl-;Methanamine, 1,1-diphenyl-;Methylamine, 1,1-diphenyl-;1,1-DIPHENYLMETHYLAMINE;Aminodiphenylmethane;Benzenemethanamine,a-phenyl-;C,C-Diphenyl-methylamine;α-Aminodiphenylmethane;(Diphenylmethyl)amine;1,1-diphenylmethanamine;benzhydryl amine;alpha-Aminodiphenylmethane;Benzenemethanamine, .alpha.-phenyl-;.alpha.-Phenylbenzylamine;4BO6ISS9DX;.alpha.-Aminodiphenylmethane;MGHPNCMVUAKAIE-UHFFFAOYSA-N;PB10011;CS-D1366;Methylamine,1-diphenyl-;C,C-diphenylmethylamine;NSC-49127;Benzhydrylamine, purum, >=97.0% (GC);aminodiphenyl methane;HMS1785L01;aminodiphenyl-methane;Benzhydrylamine, 97%;SCHEMBL7841;AS-12859;FT-0622663;benzhydrylamin-;B0124;BP-11378;BCP18638;NSC49127;Methanamine,1-diphenyl-;A25935;Q-200624;F0850-6748;STK801347;Methylamine, 1,1-diphenyl- (6CI,7CI,8CI);BENZHYDRYLAMINE [MI];91-00-9;EINECS 202-032-2;BBL009929;Amikacin sulfate, Antibiotic for Culture Media Use Only;alpha-phenyl-benzenemethanamin;alpha-phenylbenzenemethanamine;InChI=1/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H;SCHEMBL1573580;LS-30514;UNII-4BO6ISS9DX;AKOS000120236;CHEMBL467503;Ph2CHNH2;NSC 49127;diphenyl-methanamine;DTXSID00238346;Oprea1_187555;diphenylmethyamine;Q27259384;MFCD00008059;benzhydryl-amine;EN300-15665;AMY10403;Q-103472;1,1-diphenyl methylamine;Methylamine, 1,1-diphenyl- (6CI, 7CI, 8CI);α-Phenylbenzenemethanamine (ACI);1-Amino-1-(phenylmethyl)benzene;Diphenylmethamine;α-Phenylbenzylamine;0XM;DB-032196;NS00039384;benzhydrylamin;BENZHYDRYLAMINE (AMINODIPHENYLMETHANE);BDBM626027;

标识符

MDL:
MFCD00008059
InChIKey:
MGHPNCMVUAKAIE-UHFFFAOYSA-N
Inchi:
1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2
SMILES:
NC(C1C=CC=CC=1)C1C=CC=CC=1
BRN:
776434

二苯甲胺(91-00-9)物化性质

实验特性

  • LogP : 3.43500
  • PSA : 26.02000
  • Merck : 1076
  • 折射率 : n20/D 1.595(lit.)
  • 水溶性 : Miscible with chloroform, dimethylsulfoxide and methanol. Slightly miscible with water.
  • 沸点 : 304°C(lit.)
  • 熔点 : 12 °C (lit.)
  • 闪点 : 华氏:235.4 °F
    摄氏:113 °C
  • 颜色与性状 : 无色六方薄片或液体
  • 溶解性 : 微溶于水
  • 敏感性 : Air Sensitive
  • 密度 : 1.063 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 183.10500
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 2
  • 同位素质量 : 183.105
  • 重原子数量 : 14
  • 复杂度 : 137
  • 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) : 2.4
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 26

二苯甲胺(91-00-9)安全信息

二苯甲胺(91-00-9)国际标准相关数据

EINECS:
49127

二苯甲胺(91-00-9)海关数据

海关数据:

中国海关编码:

2921499090

概述:

2921499090 其他芳香单胺及衍生物及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 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:

2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

二苯甲胺(91-00-9)生产方法和用途

用途:

有机合成和医药中间体。

二苯甲胺(91-00-9)推荐厂家 更多厂家(93)

二苯甲胺(91-00-9)合成路线

合成路线:1 步
反应条件:
参考文献:
Lewis acid-catalyzed nucleophilic substitutions of benzylic alcohols with sulfamides
Oda, Ryoga; Nakata, Kenya, European Journal of Organic Chemistry, 2021, 2021(2), 295-301
合成路线:1 步
反应条件:
参考文献:
Deprotection of a primary Boc group under basic conditions
Tom, Norma J.; Simon, Wendy M.; Frost, Heather N.; Ewing, Marcus, Tetrahedron Letters, 2004, 45(5), 905-906
合成路线:1 步
反应条件:
参考文献:
ROMPgel-Supported Triphenylphosphine with Potential Application in Parallel Synthesis
Aarstad, Erik; Barrett, Anthony G. M.; Hopkins, Brian T.; Koebberling, Johannes, Organic Letters, 2002, 4(11), 1975-1977
合成路线:1 步
反应条件:
参考文献:
Selective deprotection of allyl amines using palladium
Lemaire-Audoire, Sandrine; Savignac, Monique; Genet, Jean Pierre; Bernard, Jean-Marie, Tetrahedron Letters, 1995, 36(8), 1267-70
合成路线:1 步
反应条件:
参考文献:
Mild and chemoselective cleavage of p-nitrobenzyl esters and p-nitrobenzyloxycarbonylamines with zinc dust
Kumagai, Toshio; Abe, Takao; Fujimoto, Yukari; Hayashi, Takaaki; Inoue, Yoshinori; et al, Heterocycles, 1993, 36(8), 1729-34
合成路线:1 步
反应条件:
参考文献:
Synthesis of secondary and tertiary carbinamines from N-(trimethylsilyl)imines and organolithium reagents
Hirao, Akira; Hattori, Iwakazu; Yamaguchi, Kazuo; Nakahama, Seiichi; Yamazaki, Noboru, Synthesis, 1982, (6), 461-2
合成路线:1 步
反应条件:
参考文献:
Rearrangements of some new hydroxamic acids related to heterocyclic acids and to diphenyl- and triphenylacetic acids
Jones, Lauder W.; Hurd, Charles D., Journal of the American Chemical Society, 1921, 43, 2422-48
合成路线:1 步
反应条件:
参考文献:
α-Phenyl-benzenemethanamine and α-phenyl-benzenemethanamine hydrochloride
Pigza, Julie A., e-EROS Encyclopedia of Reagents for Organic Synthesis, 2011, 1, 1-4
合成路线:1 步
反应条件:
参考文献:
Transfer Hydrogenation of Imines with Ammonia-Borane: A Concerted Double-Hydrogen-Transfer Reaction
Yang, Xianghua; Zhao, Lili; Fox, Thomas; Wang, Zhi-Xiang; Berke, Heinz, Angewandte Chemie, 2010, 49(11), 2058-2062
合成路线:1 步
反应条件:
参考文献:
Rapid deprotection of N-Boc amines by TFA combined with free base generation using basic ion-exchange resins
Srinivasan, Natarajan; Yurek-George, Alexander; Ganesan, A., Molecular Diversity, 2005, 9(4), 291-293
合成路线:1 步
反应条件:
参考文献:
Synthesis of substituted benzhydrylamines
Dejaegher, Yves; Mangelinckx, Sven; De Kimpe, Norbert, Synlett, 2002, (1), 113-115
合成路线:1 步
反应条件:
参考文献:
A rapid and practical protocol for solvent-free reduction of oximes to amines with NaBH4/ZrCl4/Al2O3 system
Zeynizadeh, Behzad; Kouhkan, Mehri, Bulletin of the Korean Chemical Society, 2011, 32(9), 3448-3452
合成路线:1 步
反应条件:
参考文献:
Preparation and application of odorless 1,3-propanedithiol reagents
Matoba, Manabu; Kajimoto, Tetsuya; Nishide, Kiyoharu; Node, Manabu, Chemical & Pharmaceutical Bulletin, 2006, 54(1), 141-146
合成路线:1 步
反应条件:
参考文献:
Convenient cleavage of water-insoluble allylic substrates in the presence of per(2,6-di-O-methyl)-β-cyclodextrin
Widehem, Rodrigue; Lacroix, Thibaut; Bricout, Herve; Monflier, Eric, Synlett, 2000, (5), 722-724
合成路线:1 步
反应条件:
参考文献:
The efficient solvent-free reduction of oximes to amines with NaBH3CN catalyzed by ZrCl4/nano Fe3O4 system
Sadighnia, Leila; Zeynizadeh, Behzad, Journal of the Iranian Chemical Society, 2015, 12(5), 873-878
合成路线:1 步
反应条件:
参考文献:
Indium-mediated reduction of nitro and azide groups in the presence of HCl in aqueous media
Lee, Jung Gyu; Choi, Kyung Il; Koh, Hun Yeong; Kim, Youseung; Kang, Yonghan; et al, Synthesis, 2001, (1), 81-84
合成路线:1 步
反应条件:
参考文献:
Experimental and computational studies of borohydride catalyzed hydrosilylation of a variety of C:O and C:N functionalities including esters, amides and heteroarenes
Manas, Michael G.; Sharninghausen, Liam S.; Balcells, David; Crabtree, Robert H., New Journal of Chemistry, 2014, 38(4), 1694-1700
合成路线:1 步
反应条件:
参考文献:
Photochemical oxidation of imines
Toshima, Naoki; Hirai, Hidefumi, Tetrahedron Letters, 1970, (6), 433-6

二苯甲胺(91-00-9)相关文献

二苯甲胺(91-00-9)参考资料

Reaxys RN:
776434
Beilstein:
12,1323
PubChem CID:

二苯甲胺(91-00-9) MSDS

基础信息

Name:Aminodiphenylmethane Material Safety Data Sheet
Synonym:Benzhydrylamine; alpha-Phenylbenzenemethanamine; 1,1-Diphenylmethylamine
CAS:91-00-9
Section 1 - Chemical Product ? MSDS Name:Aminodiphenylmethane Material Safety Data Sheet
Synonym:Benzhydrylamine; alpha-Phenylbenzenemethanamine; 1,1-Diphenylmethylamine

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
91-00-9Aminodiphenylmethane97202-032-2
Hazard Symbols: C
Risk Phrases: 22 34

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns. Amines have been known to cause skin irritation and sensitization.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

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 immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
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:

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. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes. Use only with adequate ventilation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 91-00-9: Personal Protective Equipment Eyes: Wear chemical splash goggles and face shield.
Skin:
Wear appropriate protective 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: Clear liquid
Color: colorless to yellow
Odor: amine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 295 deg C @ 760 mmHg
Freezing/Melting Point: 12 deg C
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Slightly soluble.
Specific Gravity/Density: 1.06
Molecular Formula: C13H13N
Molecular Weight: 183.25

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Absorbs carbon dioxide from the air. Not currently available.
Conditions to Avoid:
Excess heat, confined spaces.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 91-00-9: DA4407300 LD50/LC50:
CAS# 91-00-9: Oral, mouse: LD50 = 400 mg/kg.
Carcinogenicity:
Aminodiphenylmethane - 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: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: II
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: II
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: II

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 22 Harmful if swallowed.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 91-00-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 91-00-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 91-00-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A