4-(溴甲基)哌啶甲酸苄酯

4-(溴甲基)哌啶甲酸苄酯 基本信息
CAS号 159275-17-9 分子式 C14H18BrNO2
分子量 312.20200 精确质量  311.05200
PSA  29.54000 LogP  3.36800

基本信息 展开↓

CAS号:
159275-17-9
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分子式:
C14H18BrNO2
分子量:
312.20200
中文名称:
4-(溴甲基)哌啶甲酸苄酯
英文名称:
Benzyl 4-(Bromomethyl)tetrahydro-1(2H)-pyridinecarboxylate
中文别名:
4-(溴甲基)哌啶甲酸苄酯;
1-CBZ-4-溴甲基哌啶;
4-(溴甲基)哌啶-1-羧酸苄酯
英文别名:
Benzyl 4-(Bromomethyl)tetrahydro-1(2H)-pyridinecarboxylate;
Benzyl 4-(bromomethyl)tetrahydro-1(2H)-pyridinecarboxylate;
benzyl 4-(bromomethyl)piperidine-N-carboxylate;
Benzyl 4-(bromomethyl)piperidine-1-carboxylate;
benzyl 4-(bromomethyl)piperidine-1-carboxylate
精确分子量/精确质量:
311.05200
极性分子表面积/PSA:
29.54000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C14H18BrNO2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11H2

物化性质展开↓

密度:
1.356g/cm3
熔点:
68ºC
沸点:
403.4ºC at 760mmHg
闪点:
197.8ºC
折射率:
1.56
蒸汽压:
1.02E-06mmHg at 25°C

安全信息展开↓

海关代码:
2933399090
危险类别码:
R36/37/38
安全说明:
26-36/37/39
危险标志:
Xi: Irritant;C: Corrosive;

合成路线查看所有的合成路线

  • 122860-33-7

    N-Cbz-4-羟甲基哌啶

  • ~88%

  • 159275-17-9

    4-(溴甲基)哌啶甲酸苄酯

  • 10314-98-4

    1-Cbz-4-哌啶甲酸

  • 159275-17-9

    4-(溴甲基)哌啶甲酸苄酯

  • 558-13-4

    四溴化碳

  • +

  • 122860-33-7

    N-Cbz-4-羟甲基哌啶

  • 159275-17-9

    4-(溴甲基)哌啶甲酸苄酯

MSDS 展开↓

Name: Benzyl 4-(bromomethyl)tetrahydro-1(2h)-pyridinecarboxylate 97% Material Safety Data Sheet
Synonym: 4-Bromomethylpiperidine-1-carboxylic acid benzyl este
CAS: 159275-17-9
Section 1 - Chemical Product   MSDS Name:Benzyl 4-(bromomethyl)tetrahydro-1(2h)-pyridinecarboxylate 97% Material Safety Data Sheet
Synonym:4-Bromomethylpiperidine-1-carboxylic acid benzyl este

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
159275-17-9 Benzyl 4-(bromomethyl)tetrahydro-1(2H) 97% unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. 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:
Treat symptomatically and supportively.

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 foam, dry chemical, or carbon dioxide.

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.

Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
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 ventilation to keep airborne concentrations low.
Exposure Limits CAS# 159275-17-9: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Crystals
Color: off-white
Odor: sweetish odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 67 - 68 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: C14H18BrNO2
Molecular Weight: 312

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, amines.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide, acrid smoke and fumes, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 159275-17-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Benzyl 4-(bromomethyl)tetrahydro-1(2H)-pyridinecarboxylate - 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
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# 159275-17-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 159275-17-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 159275-17-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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