叔丁基 N-(3-甲酸基苄基)氨基甲酸酯

叔丁基 N-(3-甲酸基苄基)氨基甲酸酯 基本信息
CAS号 170853-04-0 分子式 C13H17NO3
分子量 235.27900 精确质量  235.12100
PSA  55.40000 LogP  2.91470

基本信息 展开↓

CAS号:
170853-04-0
3D弹球模型:
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分子式:
C13H17NO3
分子量:
235.27900
中文名称:
叔丁基 N-(3-甲酸基苄基)氨基甲酸酯
英文名称:
tert-Butyl 3-formylbenzylcarbamate
中文别名:
叔丁基 N-(3-甲酸基苄基)氨基甲酸酯;
n-(3-甲酰基苄基)氨基甲酸叔丁酯
英文别名:
tert-Butyl 3-formylbenzylcarbamate;
tert-butyl N-[(3-formylphenyl)methyl]carbamate
精确分子量/精确质量:
235.12100
极性分子表面积/PSA:
55.40000
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/C13H17NO3/c1-13(2,3)17-12(16)14-8-10-5-4-6-11(7-10)9-15/h4-7,9H,8H2,1-3H3,(H,14,16)

物化性质展开↓

密度:
1.108g/cm3
沸点:
382.9ºC at 760 mmHg
闪点:
185.3ºC
折射率:
1.538
蒸汽压:
4.58E-06mmHg at 25°C

合成路线查看所有的合成路线

  • 875582-81-3

    tert-butyl [3-(1,3-dioxolan-2-yl)benzyl]carbamate

  • ~96%

  • 170853-04-0

    叔丁基 N-(3-甲酸基苄基)氨基甲酸酯

  • 226070-69-5

    (3-羟基甲基-苄基)-羧酸叔丁酯

  • ~96%

  • 170853-04-0

    叔丁基 N-(3-甲酸基苄基)氨基甲酸酯

  • 781632-38-0

    Methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoate

  • 170853-04-0

    叔丁基 N-(3-甲酸基苄基)氨基甲酸酯

MSDS 展开↓

Name: tert-Butyl N-(3-formylbenzyl)carbamate Material Safety Data Sheet
Synonym:
CAS: 170853-04-0
Section 1 - Chemical Product MSDS Name: tert-Butyl N-(3-formylbenzyl)carbamate Material Safety Data Sheet
Synonym:

SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
170853-04-0 tert-Butyl N-(3-formylbenzyl)carbamate 90+% unlisted
+++++
Hazard Symbols: XN
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
Chronic:
Not available.
SECTION 4 - FIRST AID MEASURES
Eyes:
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:


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.
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.
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.
SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 170853-04-0: 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: Oil
Color: Pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C13H17NO3
Molecular Weight: 235.29
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases, amines.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 170853-04-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
tert-Butyl N-(3-formylbenzyl)carbamate - 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: XN
Risk Phrases:
R 22 Harmful if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray. 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. WGK (Water Danger/Protection) CAS# 170853-04-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 170853-04-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 170853-04-0 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 1/27/2005 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

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