3β-anilino-cholestene-(5) | 7510-04-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 3β-anilino-cholestene-(5)
• 英文别名: 3β-Anilino-cholesten-(5)；Phenyl-cholesteryl-amin；Cholesterylaniline；(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-N-phenyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
• CAS: 7510-04-5
• 化学式: C₃₃H₅₁N
• 分子量: 461.775
• InChiKey: QLUKVXBTMCXYMC-IVFUUCCDSA-N

物化性质

• 熔点：
  184-185 °C
• 沸点：
  560.3±29.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.757
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

SDS

Version 1.2
Regulation (EC) No 1907/2006

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1 - Product and Company Information

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Product Name CHOLESTERYLANILINE

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2 - Hazards Identification

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3 - Composition/Information on Ingredients

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Product Name CAS # EC no Annex I
Index Number
CHOLESTERYLANILINE 7510-04-5 None None
Formula C33H51N
Molecular Weight 461,8000 AMU

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4 - First Aid Measures

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AFTER INHALATION
If inhaled, remove to fresh air. If breathing becomes difficult,
call a physician.
AFTER SKIN CONTACT
In case of contact, immediately wash skin with soap and copious
amounts of water.
AFTER EYE CONTACT
In case of contact with eyes, flush with copious amounts of
water for at least 15 minutes. Assure adequate flushing by
separating the eyelids with fingers. Call a physician.
AFTER INGESTION
If swallowed, wash out mouth with water provided person is
conscious. Call a physician.

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5 - Fire Fighting Measures

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EXTINGUISHING MEDIA
Suitable: Carbon dioxide, dry chemical powder, or appropriate
foam.
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SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
Wear self-contained breathing apparatus and protective clothing
to prevent contact with skin and eyes.

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6 - Accidental Release Measures

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PROCEDURE(S) OF PERSONAL PRECAUTION(S)
Wear appropriate government approved respirator,
chemical-resistant gloves, safety goggles, other protective
clothing.
METHODS FOR CLEANING UP
Sweep up, place in a bag and hold for waste disposal. Avoid
raising dust. Ventilate area and wash spill site after material
pickup is complete.

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7 - Handling and Storage

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STORAGE
Store at 2-8°C

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8 - Exposure Controls / Personal Protection

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PERSONAL PROTECTIVE EQUIPMENT
Respiratory Protection: Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US)
or CEN (EU). Respiratory protection is not required. Where
protection from nuisance levels of dusts are desired, use type N95
(US) or type P1 (EN 143) dust masks.
Hand Protection: Rubber gloves.
Eye Protection: Chemical safety goggles.

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9 - Physical and Chemical Properties

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Appearance Physical State: Solid
Property Value At Temperature or Pressure
pH N/A
BP/BP Range N/A
MP/MP Range N/A
Flash Point N/A
Flammability N/A
Autoignition Temp N/A
Oxidizing Properties N/A
Explosive Properties N/A
Explosion Limits N/A
Vapor Pressure N/A
Partition Coefficient N/A
Viscosity N/A
Vapor Density N/A
Saturated Vapor Conc. N/A
Evaporation Rate N/A
Bulk Density N/A
Decomposition Temp. N/A
Solvent Content N/A
Water Content N/A
Surface Tension N/A
Conductivity N/A
SIGMA www.molbase.com
Miscellaneous Data N/A
Solubility N/A

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10 - Stability and Reactivity

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STABILITY
Stable: Stable.
HAZARDOUS DECOMPOSITION PRODUCTS
Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
Nitrogen oxides.

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11 - Toxicological Information

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ROUTE OF EXPOSURE
Multiple Routes: May cause irritation. May be harmful by
inhalation, ingestion, or skin absorption.
CONDITIONS AGGRAVATED BY EXPOSURE
The toxicological properties have not been thoroughly
investigated.

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12 - Ecological Information

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No data available.

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13 - Disposal Considerations

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SUBSTANCE DISPOSAL
Dissolve or mix the material with a combustible solvent and burn
in a chemical incinerator equipped with an afterburner and
scrubber. Observe all federal, state, and local environmental
regulations.

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14 - Transport Information

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RID/ADR
Non-hazardous for road transport.
IMDG
Non-hazardous for sea transport.
IATA
Non-hazardous for air transport.

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15 - Regulatory Information

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Caution: Substance not yet fully tested (EU).
COUNTRY SPECIFIC INFORMATION
Germany
WGK: 3
Self-Classification

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16 - Other Information

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WARRANTY
The above information is believed to be correct but does not
purport to be all inclusive and shall be used only as a guide. The
SIGMA www.molbase.com
information in this document is based on the present state of our
knowledge and is applicable to the product with regard to
appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Inc.,
shall not be held liable for any damage resulting from handling or
from contact with the above product. See reverse side of invoice
or packing slip for additional terms and conditions of sale.
Copyright 2010 Co. License granted to make
unlimitedpaper copies for internal use only.
DISCLAIMER
For R&D use only. Not for drug, household or other uses.
SIGMA www.molbase.com

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3β-anilino-cholestene-(5) 在 硝酸 、 溶剂黄146 作用下， 生成 3β-(4.N-dinitro-anilino)-cholestene-(5)
  参考文献：
  名称：

  Lieb; Winkelmann; Koeppl, Justus Liebigs Annalen der Chemie, 1934, vol. 509, p. 214,227

  摘要：

  DOI：
• 作为产物：
  描述：

  acetoxymethyl 7β-phenylacetamido-3-methyl-3-cephem-4-carboxylate 、 苯胺 生成 3β-anilino-cholestene-(5)
  参考文献：
  名称：

  甾醇；异胆固醇胺。

  摘要：

  DOI：

  10.1021/ja01185a054

文献信息

• Pirrone, Gazzetta Chimica Italiana, 1932, vol. 62, p. 63,76
  作者：Pirrone

  DOI：——

  日期：——
• 1. Synthesis of lipophilic chemotherapeuticals. Part I
  作者：Ernst Bergmann、L. Haskelberg

  DOI：10.1039/jr9390000001

  日期：——
• 105. Synthesis of lipophilic chemotherapeuticals. Part II. 4-Alkylaminoazobenzene-4′-arsonic acids
  作者：S. Adler、L. Haskelberg、F. Bergmann

  DOI：10.1039/jr9400000576

  日期：——
• Mueller; Batyka, Chemische Berichte, 1941, vol. 74, p. 705,706
  作者：Mueller、Batyka

  DOI：——

  日期：——
• Batyka, 1941, vol. 13, p. 334,349,350
  作者：Batyka

  DOI：——

  日期：——