(13C3)丙烷 - CAS号 344239-80-1

物化性质

沸点：

-42.1 °C(lit.)

计算性质

辛醇/水分配系数(LogP)：

1.8
重原子数：

3
可旋转键数：

0
环数：

0.0
sp3杂化的碳原子比例：

1.0
拓扑面积：

0
氢给体数：

0
氢受体数：

0

安全信息

危险品标志：

F+
危险品运输编号：

UN 1978 2.1

SDS

SDS：8f3375e8cc1fce0fae5a8391d663fd2b

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Propane-13C3
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 344239-80-1
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Flammable gases (Category 1), H220
Gases under pressure (Liquefied gas), H280
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
F+ Extremely flammable R12
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Danger
Hazard statement(s)
H220 Extremely flammable gas.
H280 Contains gas under pressure; may explode if heated.
Precautionary statement(s)
P210 Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P410 + P403 Protect from sunlight. Store in a well-ventilated place.
Supplemental Hazard none
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Chemical characterization : Isotopically labeled
Formula : 13C3H8
Molecular Weight : 47,07 g/mol
CAS-No. : 344239-80-1
No components need to be disclosed according to the applicable regulations.
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Remove all sources of ignition.
Evacuate personnel to safe areas. Beware of vapours accumulating to form explosive concentrations.
Vapours can accumulate in low areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Clean up promptly by sweeping or vacuum.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Store under inert gas. hygroscopic
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, Flame retardant antistatic protective clothing, The type of protective
equipment must be selected according to the concentration and amount of the dangerous
substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type AXBEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: Liquefied gas
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: -187 °C
point
f) Initial boiling point and -42,1 °C - lit.
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower Upper explosion limit: 9,5 %(V)
flammability or Lower explosion limit: 2,2 %(V)
explosive limits
k) Vapour pressure 8.700,0 hPa at 20 °C
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
Heating barium peroxide under gaseous propane at ambient pressure resulted in a violent exothermic
reaction. Reacts explosively with chlorine dioxide.
Heat, flames and sparks. Extremes of temperature and direct sunlight.
Incompatible materials
no data available
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
Inhalation of propane at concentrations sufficent to exclude an adequate supply of oxygen to the lungs can
result in:, Dizziness, Drowsiness, Unconsciousness, It has a narcotic action and acts as a depressant on
the central nervous system.

SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: 1978 IMDG: 1978 IATA: 1978
UN proper shipping name
ADR/RID: PROPANE
IMDG: PROPANE
IATA: Propane
Passenger Aircraft: Not permitted for transport
Transport hazard class(es)
ADR/RID: 2.1 IMDG: 2.1 IATA: 2.1
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

SECTION 15 - REGULATORY INFORMATION
N/A

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

作为产物：

描述：

碘甲烷-13C 在 zeolite HZSM-5 作用下，生成甲烷-13C 、 (13C3)丙烷、 Isobutane 、 2,4-Dimethylpentane

参考文献：

名称：

High-temperature in-situ magic angle spinning NMR studies of chemical reactions on catalysts

摘要：

We report in situ magic angle spinning (MAS) studies of chemical reactions on zeolite catalysts in the high-temperature range (573-673 K) used in typical catalytic processes. These studies were carried out using a novel high-temperature MAS probe which is also described in this contribution. The chemical studies reported here were selected based on either earlier studies at lower temperatures or the failure to observe any reactions using probes with lower temperature limits. All reactions were carried out in zeolite HZSM-5. Cracking of ethylene oligomers was studied at 623 K. A product distribution consistent with the formation of a pentacoordinated carbonium ion intermediate was observed which was not seen in a previous investigation at a lower temperature. Furthermore, direct observation of three-coordinate carbenium ion formation during cracking at 523-623 K was achieved. The conversion of methanol to gasoline (MTG) on HZSM-5 was studied with a temperature jump to 623 K. Important differences observed in this study relative to previous investigations at lower temperatures include well-resolved signals for adsorbed vs exogenous (gas phase) methanol and dimethyl ether and a higher yield of aromatics. Two less-reactive methane derivatives were also studied to look for analogies to MTG chemistry. Methyl iodide began reacting on HZSM-5 at ca. 583 K to form light aliphatics and at 623 K was completely consumed to form methane, ethane, and benzene. As was previously observed at lower temperatures, dimethyl sulfide formed trimethylsulfonium ion which proved to be stable even at 673 K in the present contribution.

DOI：

10.1021/j100199a052

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文献信息

ATP-Independent Formation of Hydrocarbons Catalyzed by Isolated Nitrogenase Cofactors

作者：Chi Chung Lee、Yilin Hu、Markus W. Ribbe

DOI：10.1002/anie.201108916

日期：2012.2.20

Reduce to produce: Molybdenum‐ and vanadium‐nitrogenase cofactors have been isolated and shown to reduce carbon monoxide and cyanide ions to a mixture of alkanes and alkenes in the presence of a strong reductant, europium(II) diethylenetriaminepentaacetate (see scheme). Various hydrocarbons of up to seven carbon atoms in length are detected as products in these ATP‐free reactions.

还原生成：已分离出钼和钒氮酶辅助因子，并显示在强还原剂二亚乙基三胺五乙酸铕 (II) 存在下，可将一氧化碳和氰化物离子还原为烷烃和烯烃的混合物（参见方案）。在这些不含 ATP 的反应中，检测到各种长达七个碳原子的碳氢化合物作为产物。
Cross-Metathesis of Propane and Methane: A Catalytic Reaction of CC Bond Cleavage of a Higher Alkane by Methane

作者：Daravong Soulivong、Christophe Copéret、Jean Thivolle-Cazat、Jean-Marie Basset、Barry M. Maunders、Richard B. A. Pardy、Glenn J. Sunley

DOI：10.1002/anie.200460982

日期：2004.10.11
Revisiting the Metathesis of <sup>13</sup>C-Monolabeled Ethane

作者：Olivier Maury、Laurent Lefort、Véronique Vidal、Jean Thivolle-Cazat、Jean-Marie Basset

DOI：10.1021/om100542k

日期：2010.12.13

The metathesis of C-13-monolabeled ethane leads to the parallel occurrence of degenerate and productive reactions, affording the statistical distribution of the various product isotopomers, which can be rationalized in terms of a mechanistic reaction scheme combining both processes.
STIMSON, R. E.;SHRIVER, D. F., ORGANOMETALLICS, 1982, 1, N 6, 787-793

作者：STIMSON, R. E.、SHRIVER, D. F.

DOI：——

日期：——
High-temperature in-situ magic angle spinning NMR studies of chemical reactions on catalysts

作者：F. Gregory Oliver、Eric J. Munson、James F. Haw

DOI：10.1021/j100199a052

日期：1992.10

We report in situ magic angle spinning (MAS) studies of chemical reactions on zeolite catalysts in the high-temperature range (573-673 K) used in typical catalytic processes. These studies were carried out using a novel high-temperature MAS probe which is also described in this contribution. The chemical studies reported here were selected based on either earlier studies at lower temperatures or the failure to observe any reactions using probes with lower temperature limits. All reactions were carried out in zeolite HZSM-5. Cracking of ethylene oligomers was studied at 623 K. A product distribution consistent with the formation of a pentacoordinated carbonium ion intermediate was observed which was not seen in a previous investigation at a lower temperature. Furthermore, direct observation of three-coordinate carbenium ion formation during cracking at 523-623 K was achieved. The conversion of methanol to gasoline (MTG) on HZSM-5 was studied with a temperature jump to 623 K. Important differences observed in this study relative to previous investigations at lower temperatures include well-resolved signals for adsorbed vs exogenous (gas phase) methanol and dimethyl ether and a higher yield of aromatics. Two less-reactive methane derivatives were also studied to look for analogies to MTG chemistry. Methyl iodide began reacting on HZSM-5 at ca. 583 K to form light aliphatics and at 623 K was completely consumed to form methane, ethane, and benzene. As was previously observed at lower temperatures, dimethyl sulfide formed trimethylsulfonium ion which proved to be stable even at 673 K in the present contribution.

(13C3)丙烷 | 344239-80-1

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

文献信息

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