1-(2-氟[1,1-联苯]-4-基)-1-丙醇 | 64820-95-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2-氟[1,1-联苯]-4-基)-1-丙醇
• 英文名称: 1-hydroxy-1-(2'-fluoro-4-biphenylyl)-propane
• 英文别名: 1-(2'-Fluoro[1,1'-biphenyl]-4-yl)propan-1-ol；1-[4-(2-fluorophenyl)phenyl]propan-1-ol
• CAS: 64820-95-7
• 化学式: C₁₅H₁₅FO
• mdl: MFCD00662442
• 分子量: 230.282
• InChiKey: QCPOHBUIIOWWEC-UHFFFAOYSA-N

物化性质

• 熔点：
  55 °C

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2906299090
• 安全说明：
  S26,S36/37/39

SDS

Name:	1-(2 -Fluoro[1 1 -biphenyl]-4-yl)propan-1-ol 97% Material Safety Data Sheet
Synonym:
CAS:	64820-95-7

Section 1 - Chemical Product MSDS Name:1-(2 -Fluoro[1 1 -biphenyl]-4-yl)propan-1-ol 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
64820-95-7	1-(2'-Fluoro[1,1'-biphenyl]-4-yl)propa	97%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. 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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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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:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 64820-95-7: Personal Protective Equipment Eyes: Not available.
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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 55 - 56 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:
Specific Gravity/Density:
Molecular Formula: C15H15FO
Molecular Weight: 230.28

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 64820-95-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(2'-Fluoro[1,1'-biphenyl]-4-yl)propan-1-ol - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 64820-95-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 64820-95-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 64820-95-7 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-(2-氟[1,1-联苯]-4-基)-1-丙醇 、 potassium tert-butylate 、 巯基乙酸甲酯 、 1-(1-氯丙基)-4-(2-氟苯基)苯 在 盐酸 作用下， 以 N-甲基乙酰胺 、 水 、 苯 为溶剂， 生成 [1-(2'-fluoro-4-biphenylyl)-propylthio]-acetic acid methyl ester
  参考文献：
  名称：

  Biphenyl derivatives

  摘要：

  式为##STR1##的化合物，其中R.sub.1为氢、氟、氯、溴、甲基、甲氧基、甲硫基或氰基；R.sub.2为氢或氟；R.sub.3为羧基、(1至6个碳原子的烷氧基)-羰基、甲氧基-(1至6个碳原子的烷氧基)-羰基、(2至6个碳原子的烯烃氧基)-羰基、(7至12个碳原子的芳基氧基)-羰基、苯氧基-羰基或吡啶基-甲氧基-羰基，A为(1至3个碳原子的烷基)-亚甲基，m为1或2；n为0、1、2或3；当R.sub.3为羧基时，与无机或有机碱形成的非毒性盐。这些化合物及盐可用作抗血栓、抗胆固醇和抗凝剂。

  公开号：

  US04191776A1

文献信息

• AMINO ACID COMPOUNDS
  申请人：Ohmori Yutaka

  公开号：US20090298894A1

  公开（公告）日：2009-12-03

  [Problem] To provide novel compounds that are S1P1 receptor agonists and exhibit an immunosuppressive activities by inducing lymphocyte sequestration in secondary lymphoid tissues. In addition, to provide a pharmaceutical agent which comprises the compounds as an effective component, in particular to provide a therapeutic and/or prophylactic agent for an autoimmune disease and the like. [Solving Means] Amino acid compounds that are represented by the following Formula (1) are provided

  提供一种新型化合物，它们是S1P1受体激动剂，并通过在次级淋巴组织中诱导淋巴细胞滞留而表现出免疫抑制活性。此外，提供一种包含这些化合物作为有效成分的药物制剂，特别是提供用于自身免疫疾病等疾病的治疗和/或预防药物。提供以下Formula (1)所代表的氨基酸化合物。
• Biphenylyl derivatives
  申请人：Boehringer Ingelheim GmbH

  公开号：US03993683A1

  公开（公告）日：1976-11-23

  Compounds of the formula ##SPC1## Wherein R.sub.1 is hydrogen, fluorine, bromine, methyl, methoxy, methylthio, nitro, cyano or, when A is other than methylene, R.sub.2 is hydrogen, R.sub.3 is carboxyl, m is 2 and n is 0, also chlorine; R.sub.2 is hydrogen or fluorine; R.sub.3 is hydrogen, methyl, hydroxymethyl, carboxyl, (alkoxy of 1 to 6 carbon atoms)-carbonyl, methoxy-(alkoxy of 1 to 6 carbon atoms)-carbonyl, (alkenyloxy of 2 to 6 carbon atoms)-carbonyl, (aralkoxy of 7 to 12 carbon atoms)-carbonyl, phenoxy-carbonyl, pyridylmethoxy-carbonyl, amino-carbonyl, (alkyl of 1 to 3 carbon atoms-amino)-carbonyl, (dialkyl of 1 to 3 carbon atoms-amino)-carbonyl, phenylamino-carbonyl, morpholino-carbonyl, piperidino-carbonyl, thiomorpholino-carbonyl, (1-oxidothiomorpholino)-carbonyl or (1,1-dioxido-thiomorpholino)-carbonyl; A is methylene, (alkyl of 1 to 3 carbon atoms)-methylene, di-(alkyl of 1 to 3 carbon atoms)-methylene, hydroxymethyl-methylene, hydroxymethylene or carbonyl; m is 1 or 2; and n is 0, 1, 2 or 3; And, when R.sub.3 is carboxyl, non-toxic salts thereof formed with an inorganic or organic base. The compounds as well as the salts are useful as antithrombotics, anticholesteremics and anticoagulants.

  式为##SPC1##的化合物，其中R.sub.1为氢、氟、溴、甲基、甲氧基、甲硫基、硝基、氰基或当A不是亚甲基时，R.sub.2为氢，R.sub.3为羧基，m为2，n为0，还有氯；R.sub.2为氢或氟；R.sub.3为氢、甲基、羟甲基、羧基、（1至6个碳原子的烷氧基）-羰基、甲氧基-（1至6个碳原子的烷氧基）-羰基、（2至6个碳原子的烯氧基）-羰基、（7至12个碳原子的芳基氧基）-羰基、苯氧基-羰基、吡啶甲氧基-羰基、氨基-羰基、（1至3个碳原子的烷基氨基）-羰基、（1至3个碳原子的二烷基氨基）-羰基、苯基氨基-羰基、吗啉基-羰基、哌啶基-羰基、硫吗啉基-羰基、（1-氧代硫吗啉基）-羰基或（1,1-二氧代硫吗啉基）-羰基；A为亚甲基，（1至3个碳原子的烷基）-亚甲基，二（1至3个碳原子的烷基）-亚甲基，羟甲基-亚甲基，羟亚甲基或羰基；m为1或2；n为0、1、2或3；当R.sub.3为羧基时，与无机或有机碱形成的非毒性盐。这些化合物以及盐可用作抗血栓、抗胆固醇和抗凝剂。
• US3993683A
  申请人：——

  公开号：US3993683A

  公开（公告）日：1976-11-23
• US4191776A
  申请人：——

  公开号：US4191776A

  公开（公告）日：1980-03-04
• Biphenyl derivatives
  申请人：Boehringer Ingelheim GmbH

  公开号：US04191776A1

  公开（公告）日：1980-03-04

  Compounds of the formula ##STR1## wherein R.sub.1 is hydrogen, fluorine, chlorine, bromine, methyl, methoxy, methylthio or cyano; R.sub.2 is hydrogen or fluorine; R.sub.3 is carboxyl, (alkoxy of 1 to 6 carbon atoms)-carbonyl, methoxy-(alkoxy of 1 to 6 carbon atoms)-carbonyl, (alkenyloxy of 2 to 6 carbon atoms)-carbonyl, (aralkoxy of 7 to 12 carbon atoms)-carbonyl, phenoxy-carbonyl or pyridyl-methoxy-carbonyl, A is (alkyl of 1 to 3 carbon atoms)-methylene, m is 1 or 2; and n is 0, 1, 2 or 3; and, when R.sub.3 is carboxyl, non-toxic salts thereof formed with an inorganic or organic base. The compounds as well as the salts are useful as antithrombotics, anticholesteremics and anticoagulants.

  式为##STR1##的化合物，其中R.sub.1为氢、氟、氯、溴、甲基、甲氧基、甲硫基或氰基；R.sub.2为氢或氟；R.sub.3为羧基、(1至6个碳原子的烷氧基)-羰基、甲氧基-(1至6个碳原子的烷氧基)-羰基、(2至6个碳原子的烯烃氧基)-羰基、(7至12个碳原子的芳基氧基)-羰基、苯氧基-羰基或吡啶基-甲氧基-羰基，A为(1至3个碳原子的烷基)-亚甲基，m为1或2；n为0、1、2或3；当R.sub.3为羧基时，与无机或有机碱形成的非毒性盐。这些化合物及盐可用作抗血栓、抗胆固醇和抗凝剂。