BOC-D-1,2,3,4-四氢异喹啉-3-羧酸,115962-35-1，生产厂家，价格-洛克化工网移动版

BOC-D-1,2,3,4-四氢异喹啉-3-羧酸

中文名称：: BOC-D-1,2,3,4-四氢异喹啉-3-羧酸

中文别名：: BOC-D-1,2,3,4-四氢异喹啉-3-羧酸;
(R)-N-Boc-1,2,3,4-四氢异喹啉-3-羧酸;
(R)-N-BOC-1,2,3,4-四氢异喹啉-3-羧酸;
(R)-N-叔丁氧羰基-1,2,3,4-四氢异喹啉-3-羧酸

英文名称：: 2,3(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-, 2-(1,1-dimethylethyl) ester, (3R)-

英文别名：: Boc-(R)-1,2,3,4-tetrahydroisoquino-line-3-carboxylic acid;
Boc-D-Tic-OH;
(R)-N-Boc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;
(R)-2-(tert-Butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;
(3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

CAS No.：: 115962-35-1

分子式：: C₁₅H₁₉NO₄

分子量：: 277.32

精确分子量：: 277.13100

PSA：: 66.84000

MDL：: MFCD00143818

InChI：: The Key: HFPVZPNLMJDJFB-GFCCVEGCSA-N3

危险品标志：: Xi

风险术语：: Xi:;

分子结构式：

SDS：: 查看

BOC-D-1,2,3,4-四氢异喹啉-3-羧酸物化性质

外观与性状：: 白色至淡米色粉末
密度：: 1.222g/cm3
熔点：: 122-123℃
沸点：: 437.6ºC at 760mmHg
闪点：: 218.5ºC
蒸汽压：: 1.97E-08mmHg at 25°C
存储条件/存储方法：: 密封、在 0-6 ºC下保存
其它信息：: 1.        性状：白色至米色粉末

2.         密度（g/mL,20℃）：未确定

3.         相对蒸汽密度（g/mL,空气=1）：未确定

4.         熔点（ºC）：未确定

5.         沸点（ºC,常压）：未确定

6.         沸点（ºC,KPa）：未确定

7.         折射率：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（Pa,20ºC）：未确定

12.      饱和蒸气压（KPa,20ºC）：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：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：未确定

BOC-D-1,2,3,4-四氢异喹啉-3-羧酸安全信息

海关代码：: 2933499090
WGK_Germany：: 3
德国有关水污染物质的分类清单
危险标志：: Xi

BOC-D-1,2,3,4-四氢异喹啉-3-羧酸 MSDS

Material Safety Data Sheet

Section 1. Identiﬁcation of the substance
Product Name: Boc-d-tic-oh
Synonyms:

Section 2. Hazards identiﬁcation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation
    H319:        Causes serious eye irritation
    H335:        May cause respiratory irritation
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing

Section 3. Composition/information on ingredients.
Ingredient name: Boc-d-tic-oh
CAS number: 115962-35-1

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    Eye contact:
    ﬂushing of the eyes by separating the eyelids with ﬁngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire ﬁghting measures
    In the event of a ﬁre involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator
    Hand precaution:        Wear suitable gloves/gauntlets
    Skin protection:        Wear suitable protective clothing
    Eye protection:        Wear suitable eye protection
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualiﬁed
    in the handling and use of potentially hazardous chemicals, who should take into account the ﬁre,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels.

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speciﬁed
    No data
    Boiling point:
    Melting point:        No data
    Flash point:        No data
    Density:        No data
    Molecular formula: C15H19NO4
    Molecular weight: 277.3

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ﬂames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

BOC-D-1,2,3,4-四氢异喹啉-3-羧酸海关数据

中国海关编码：2933499090

概述：: 2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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：: 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

BOC-D-1,2,3,4-四氢异喹啉-3-羧酸分子结构与计算化学数据

分子结构数据

1、摩尔折射率：72.91

2、摩尔体积（cm³/mol）：226.7

3、等张比容（90.2K）：601.2

4、表面张力（dyne/cm）：49.4

5、介电常数：无可用的

6、极化率（10^-24cm³）：28.9

7、单一同位素质量：277.131408 Da

8、标称质量：277 Da

9、平均质量：277.3157 Da

计算化学数据

1、疏水参数计算参考值（XlogP）：2.9

2、氢键供体数量：0

3、氢键受体数量：4

4、可旋转化学键数量：2

5、互变异构体数量：

6、拓扑分子极性表面积（TPSA）：69.7

7、重原子数量：20

8、表面电荷：-1

9、复杂度：382

10、同位素原子数量：0

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

BOC-D-1,2,3,4-四氢异喹啉-3-羧酸上游产品

二碳酸二叔丁酯 (S)-(-)-1,2,3,4-四氢异喹啉-3-羧酸叔丁基叠氮酸盐 L-1,2,3,4-四氢异喹啉-3-羧酸盐酸盐 L-苯丙氨酸

BOC-D-1,2,3,4-四氢异喹啉-3-羧酸下游产品

3(S)-甲醛基-3,4-二氢-1H-异喹啉-2-羧酸叔丁酯 (S)-1,2,3,4-四氢异喹啉-3-羧酸苄酯盐酸盐 1,2,3,4-四氢异喹啉-3(S)-羧酸胺