Cbz-反式-4-羟基-L-脯氨醇; 反式-N-苄氧羰基-4-羟基-L-脯氨醇,95687-41-5，生产厂家，价格-洛克化工网移动版

Cbz-反式-4-羟基-L-脯氨醇; 反式-N-苄氧羰基-4-羟基-L-脯氨醇

中文名称：: Cbz-反式-4-羟基-L-脯氨醇; 反式-N-苄氧羰基-4-羟基-L-脯氨醇

中文别名：: Cbz-反式-4-羟基-L-脯氨醇;
反式-N-苄氧羰基-4-羟基-L-脯氨醇;
CBZ-L-羟脯氨醇;
1-Cbz-反式-4-羟基-l-脯氨醇

英文名称：: 1-Pyrrolidinecarboxylicacid, 4-hydroxy-2-(hydroxymethyl)-, phenylmethyl ester, (2S,4R)-

英文别名：: benzyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;
Trans-N-benzyloxycarbonyl-4-hydroxy-2-hydroxymethylpyrrolidine;
TRANS-N-CBZ-4-HYDROXY-L-PROLINOL;
Z-HYP-OL;
1-Cbz-trans-4-hydroxy-L-prolinol;
(2S,4R)-N-(benzyloxycarbonyl)-4-hydroxy-2-(hydroxymethyl)pyrrolidine;
N-benzyloxycarbonyl-trans-4-hydroxy-L-prolinol;
(2S,4R)-N-(benzyloxycarbonyl)-2-hydroxymethyl-4-hydroxypyrrolidine;
Cbz-trans-4-Hydroxy-L-prolinol;
(2S,4R)-benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate;
(2S,4R)-N1-(benzyloxycarbonyl)-4-hydroxy-2-(hydroxymethyl)-pyrrolidine;
Z-trans-4-Hydroxy-L-prolinol

CAS No.：: 95687-41-5

分子式：: C₁₃H₁₇NO₄

分子量：: 251.28

精确分子量：: 251.11600

PSA：: 70.00000

MDL：: MFCD03427085

InChI：: InChI=1/C13H17NO4/c15-8-11-6-12(16)7-14(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2/t11-,12+/m0/s13

分子结构式：

SDS：: 查看

Cbz-反式-4-羟基-L-脯氨醇; 反式-N-苄氧羰基-4-羟基-L-脯氨醇物化性质

密度：: 1.297g/cm3
沸点：: 433.9ºC at 760mmHg
闪点：: 216.2ºC
折射率：: n20/D 1.547(lit.)
存储条件/存储方法：: 保持贮藏器密封

放入紧密的贮藏器内，储存在阴凉，干燥的地方
稳定性相关：: 常温常压下稳定
避免接触强氧化剂
其它信息：: 1.      性状：粘性液体

2.      密度（g/mL 25ºC）：1.297

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC常压）：未确定

5.      沸点（ºC）：240

6.      沸点（ºC,5.2kPa）：未确定

7.      折射率（n20/D）：未确定

8.      闪点（ºC，）：未确定

9.      比旋光度（º）：未确定

10.   自燃点或引燃温度（ºC）：未确定

11.   蒸气压（kPa,25ºC）：未确定

12.   饱和蒸气压（kPa,60ºC）：未确定

13.   燃烧热（KJ/mol）：未确定

14.   临界温度（ºC）：未确定

15.   临界压力（KPa）：未确定

16.   油水（辛醇/水）分配系数的对数值（25℃）：未确定

17.   爆炸上限（%,V/V）：未确定

18.   爆炸下限（%,V/V）：未确定

19.   溶解性(mg/mL) ：未确定

Cbz-反式-4-羟基-L-脯氨醇; 反式-N-苄氧羰基-4-羟基-L-脯氨醇安全信息

海关代码：: 2933990090
危险标志：: Xi: Irritant;

Cbz-反式-4-羟基-L-脯氨醇; 反式-N-苄氧羰基-4-羟基-L-脯氨醇 MSDS

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : Z-trans-4-Hydroxy-L-prolinol
    CAS-No.        : 95687-41-5
  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
    Caution - substance not yet tested completely.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Formula        : C13H17NO4
    Molecular Weight        : 251,28 g/mol

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
  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, nitrogen oxides (NOx)
  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 breathing vapors, mist or gas.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    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
    Normal measures for preventive fire protection.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
    opened must be carefully resealed and kept upright to prevent leakage.
  Specific end uses
    no data available

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
    impervious 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
    Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK
    (EU EN 14387) respirator cartridges. Use respirators and components tested and approved under
    appropriate government standards such as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: viscous, liquid
    b) Odour        no data available
    c) Odour Threshold        no data available
    d) pH        no data available
    e) Melting point/freezing        no data available
    point
    f) Initial boiling point and 240 °C
    boiling range
    g) Flash point        no data available
    h) Evaporation rate        no data available
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available
    flammability or
    explosive limits
    k) Vapour pressure        no data available
    l) Vapour density        no data available
    m) Relative density        1,297 g/mL at 25 °C
    n) Water solubility        no data available
    o) Partition coefficient: n- no data available
    octanol/water
    p) Autoignition        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
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

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 sensitization
    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
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.
  Ingestion        May be harmful if swallowed.
  Skin        May be harmful if absorbed through skin. May cause skin irritation.
  Eyes        May cause eye irritation.
  Additional Information
    RTECS: Not available

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
    no data available
  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: 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

Cbz-反式-4-羟基-L-脯氨醇; 反式-N-苄氧羰基-4-羟基-L-脯氨醇海关数据

中国海关编码：2933990090

概述：: 2933990090. 其他仅含氮杂原子的杂环化合物. 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：: 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Cbz-反式-4-羟基-L-脯氨醇; 反式-N-苄氧羰基-4-羟基-L-脯氨醇分子结构与计算化学数据

分子结构数据

五、分子性质数据：

1、摩尔折射率：65.27

2、摩尔体积（m³/mol）：193.6

3、等张比容（90.2K）：536.3

4、表面张力（dyne/cm）：58.8

5、介电常数：无可用的

6、偶极距（10^-24cm³）：无可用的

7、极化率：25.87

计算化学数据

1、疏水参数计算参考值（XlogP）：-0.7

2、氢键供体数量：3

3、氢键受体数量：6

4、可旋转化学键数量：3

5、互变异构体数量：3

6、拓扑分子极性表面积（TPSA）：99.9

7、重原子数量：15

8、表面电荷：0

9、复杂度：255

10、同位素原子数量：0

11、确定原子立构中心数量：0

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

Cbz-反式-4-羟基-L-脯氨醇; 反式-N-苄氧羰基-4-羟基-L-脯氨醇上游产品

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