35045-72-8

35045-72-8结构式

常用中文名：L-缬氨酸-D8
常用英文名：L-Valine-d8
CAS号：35045-72-8
分子式：C₅H₃D₈NO₂
分子量：125.20
相关类别：研究领域其他
发布时间：2016-05-20 15:22:12
更新时间：2024-01-10 16:00:53
L-缬氨酸-d8(L-缬氨酸-2,3,4,4,4,5,5-d8)是一种稳定的同位素标记试剂,用于标记合成L-缬氨酸酰胺-d8中间体[1]。

中文名	L-缬氨酸-D8
英文名	(2S)-2-amino-2,3,4,4,4-pentadeuterio-3-(trideuteriomethyl)butanoic acid
英文别名	Valine-2,3,4,4,4,4',4',4'-d (2,3,4,4,4,4',4',4'-H)Valine L-Valine-d8 D8-L-valine MFCD00144704 L-\|A-Amino-\|A-methylbutyric Acid-d8

描述	L-缬氨酸-d8(L-缬氨酸-2,3,4,4,4,5,5-d8)是一种稳定的同位素标记试剂,用于标记合成L-缬氨酸酰胺-d8中间体[1]。
相关类别	研究领域 >> 其他
参考文献	[1]. [1] Iyer MR, et al. Synthesis of S-2-((S)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamido)-3-(methyl-d₃)butanamide-d₅, octadeuterated JD5037. J Labelled Comp Radiopharm. 2017;60(10):460-465.

密度	1.1±0.1 g/cm3
沸点	213.6±23.0 °C at 760 mmHg
熔点	295-300 â„ƒ (subl. )(lit.)
分子式	C₅H₃D₈NO₂
分子量	125.20
闪点	83.0±22.6 °C
精确质量	125.129196
PSA	63.32000
LogP	0.20
蒸汽压	0.1±0.9 mmHg at 25°C
折射率	1.461
储存条件	2-8°C
分子结构	1、摩尔折射率：30.23 2、摩尔体积（cm³/mol）：110.1 3、等张比容（90.2K）：276.6 4、表面张力（dyne/cm）：39.8 5、极化率：11.98 6、介电常数：未确定
计算化学	1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:2 3.氢键受体数量:3 4.可旋转化学键数量:2 5.互变异构体数量:无 6.拓扑分子极性表面积63.3 7.重原子数量:8 8.表面电荷:0 9.复杂度:90.4 10.同位素原子数量:8 11.确定原子立构中心数量:1 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: L-Valine-d8
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.: 35045-72-8
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
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Chemical characterization : Isotopically labeled
Synonyms: L-2-Amino-3-methylbutanoic acid-2,3,4,4,4,5,5,5-d8
(S)-α-Aminoisovaleric acid-2,3,4,4,4,5,5,5-d8
Deuterated L-valine
Formula: C5D8H3NO2
Molecular Weight: 125,20 g/mol
CAS-No.: 35045-72-8
No components need to be disclosed according to the applicable regulations.

SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
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
no data available
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.
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)
Apart 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
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
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
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
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. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: solid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezing295 - 300 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative densityno data available
n) Water solubilityno data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno 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
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx)
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
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
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
no data available
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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated., The levorotary (l) forms of leucine, isoleucine, and valine have been found to
have tumor-promoting activity for bladder carcinomas.

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
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: -IMDG: -IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA:Not dangerous goods
Transport hazard class(es)
ADR/RID: -IMDG: -IATA: -
Packaging group
ADR/RID: -IMDG: -IATA: -
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

SECTION 16: Other information
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
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 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. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

危险品运输编码	NONH for all modes of transport

上游产品 0
下游产品 4
79-41-4 55935-44-9 223134-74-5 79-31-2

35045-72-8	203784-63-8
153568-33-3	1994261-62-9
55443-52-2	73834-52-3
201417-09-6	5619-05-6
81201-85-6	87019-54-3
2200428-70-0	1158522-08-7
940364-43-2	134104-43-1
131615-57-1	6906-52-1
930439-75-1	1018584-77-4
1375289-11-4	849349-65-1