836619-77-3 (N-Boc-3-溴-4-氟苯胺,tert-butyl N-(3-bromo-4-fluorophenyl)carbamate)

快速询单

结构式：

N-Boc-3-溴-4-氟苯胺MOL文件

CAS号：

836619-77-3

中文名称：

N-Boc-3-溴-4-氟苯胺

英文名称：

tert-butyl N-(3-bromo-4-fluorophenyl)carbamate

分子式：

C₁₁H₁₃BrFNO₂

分子量：

290.128825902939

N-Boc-3-溴-4-氟苯胺(836619-77-3)名称与标识符

名称

中文别名：

N-Boc-3-溴-4-氟苯胺;

英文别名：

tert-Butyl (3-bromo-4-fluorophenyl)carbamate;N-Boc-3-bromo-4-fluoroaniline;tert-butyl 3-bromo-4-fluorophenylcarbamate;tert-butyl N-(3-bromo-4-fluorophenyl)carbamate;(3-Bromo-4-fluoro-phenyl)-carbamic acid tert-butyl ester;1,1-Dimethylethyl N-(3-bromo-4-fluorophenyl)carbamate (ACI);Carbamic acid, (3-bromo-4-fluorophenyl)-, 1,1-dimethylethyl ester (9CI);CS-0100361;SCHEMBL1440700;836619-77-3;XPHQSYXWFLVFDU-UHFFFAOYSA-N;AKOS015888285;AS-31895;DB-075956;Z1505716977;SY012034;Carbamic acid, (3-bromo-4-fluorophenyl)-, 1,1-dimethylethyl ester;DTXSID60693417;EN300-137435;MFCD11975628;SB38935;

标识符

MDL：

MFCD11975628

InChIKey：

XPHQSYXWFLVFDU-UHFFFAOYSA-N

Inchi：

1S/C11H13BrFNO2/c1-11(2,3)16-10(15)14-7-4-5-9(13)8(12)6-7/h4-6H,1-3H3,(H,14,15)

SMILES：

O=C(NC1C=C(Br)C(F)=CC=1)OC(C)(C)C

N-Boc-3-溴-4-氟苯胺(836619-77-3)物化性质

实验特性

LogP : 3.94880
PSA : 41.82000

计算特性

精确分子量 : 289.01100
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 4
同位素质量 : 289.01137g/mol
重原子数量 : 16
复杂度 : 255
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3.3
拓扑分子极性表面积 : 38.3Å²

N-Boc-3-溴-4-氟苯胺(836619-77-3)海关数据

海关编码：

2924299090

海关数据：

中国海关编码：

2924299090

概述：

2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0%

申报要素：

品名, 成分含量, 用途, 包装

Summary：

2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

N-Boc-3-溴-4-氟苯胺(836619-77-3)推荐厂家更多厂家(23)

公司名称	手机号/电话	联系人	QQ	询单
山东德信精细化工有限公司	15553333686	张文杰	643971	询单
深圳市瑞吉特生物科技有限公司	15813841136 0755-89459231	钦先生	1029374309	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
铼博（上海）生化科技有限公司	13311756052 021-60536361 13311756052 13311756131	张经理	2851717387	询单
上海一基实业有限公司	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332	询单
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
金锦乐（湖南）化学有限公司		金锦乐	800181905	询单

N-Boc-3-溴-4-氟苯胺(836619-77-3)合成路线

合成路线：1 步

656-64-4

24424-99-5

_100%

836619-77-3

反应条件：

1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran , Water ; 5 min, rt; rt → 0 °C
1.2 2 h, 0 °C; 4 h, 0 °C → rt

参考文献：

Mild deprotection of the N-tert-butyloxycarbonyl (N-Boc) group using oxalyl chloride

George, Nathaniel; et al, RSC Advances, 2020, 10(40), 24017-24026

N-Boc-3-溴-4-氟苯胺(836619-77-3)上下游

3-溴-4-氟苯甲酸 BOC-酸酐 3-溴-4-氟苯胺叔丁醇

N-Boc-3-溴-4-氟苯胺(836619-77-3) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: N-Boc-3-bromo-4-?uoroaniline
Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H301:        Toxic if swallowed
    H311:        Toxic in contact with skin
    H332:        Harmful if inhaled
    Causes skin irritation
    H315:
    H319:        Causes serious eye irritation
    H335:        May cause respiratory irritation
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray
    P301+P310:        IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    P361:        Remove/Take off immediately all contaminated clothing
    P405:        Store locked up

Section 3. Composition/information on ingredients.
Ingredient name: N-Boc-3-bromo-4-?uoroaniline
CAS number: 836619-77-3

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:
    ?ushing of the eyes by separating the eyelids with ?ngers. 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 ?ghting measures
    In the event of a ?re 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 quali?ed
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels, refrigerated.

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
    Not speci?ed
    Appearance:
    Boiling point:        No data
    Melting point:        No data
    Flash point:        No data
    Density:        No data
    Molecular formula: C11H13BrFNO2
    Molecular weight: 290.1

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

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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (N-Boc-3-bromo-4-?uoroaniline)

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