3-溴-4-羟基-5-硝基吡啶 - CAS号 31872-65-8

物化性质

沸点：

341.8±37.0 °C(Predicted)
密度：

2.006±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

1.1
重原子数：

11
可旋转键数：

0
环数：

1.0
sp3杂化的碳原子比例：

0.0
拓扑面积：

74.9
氢给体数：

1
氢受体数：

4

安全信息

危险等级：

IRRITANT
危险品标志：

Xn
危险类别码：

R22
WGK Germany：

3
海关编码：

2933399090
危险性防范说明：

P280,P305+P351+P338
危险性描述：

H302

SDS

SDS：5ca4a503edc763ef6b9afe4a89c3fad4

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 3-Bromo-5-Nitropyridin-4-Ol
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.
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
Acute toxicity, Oral (Category 4), H302
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
Xn Harmful R22
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 Warning
Hazard statement(s)
H302 Harmful if swallowed.
Precautionary statement(s) none
Supplemental Hazard none
Statements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 219 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
3-Bromo-5-Nitropyridin-4-Ol
Acute Tox. 4; H302 <= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
3-Bromo-5-Nitropyridin-4-Ol
Xn, R22 <= 100 %
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
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
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. 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
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
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.
Storage class (TRGS 510): Non Combustible Solids
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
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
Safety glasses with side-shields conforming to EN166 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
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
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) Appearance Form: solid
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 No data available
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 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
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
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.

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
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
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. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
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
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
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
H302 Harmful if swallowed.
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
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.

制备方法与用途

简介

3-溴-4-羟基-5-硝基吡啶可作为医药合成中的重要中间体。它可通过将3-硝基吡啶-4-醇与乙酸和溴反应制备获得，最终可用于生成另一关键的中间体3-溴-N-环丙基-5-硝基吡啶-4-胺。

制备

向含有20克（142.76毫摩尔，等当量）3-硝基吡啶-4-醇和250毫升50%水性乙酸溶液的反应容器中，逐滴加入113克（713毫摩尔，五当量）溴。将此混合物在室温下搅拌20小时后，过滤产生的沉淀并用清水洗涤。最终得到25克中间体3-溴-4-羟基-5-硝基吡啶。

上下游信息

上游原料

中文名称英文名称 CAS号化学式分子量

4-羟基-3-硝基吡啶 4-hydroxy-3-nitropyridine 5435-54-1 C₅H₄N₂O₃ 140.098

中文名称	英文名称	CAS号	化学式	分子量
4-羟基-3-硝基吡啶	4-hydroxy-3-nitropyridine	5435-54-1	C₅H₄N₂O₃	140.098

下游产品

中文名称	英文名称	CAS号	化学式	分子量
3-氨基-5-溴吡啶-4-醇	3-amino-5-bromopyridin-4-ol	101084-20-2	C₅H₅BrN₂O	189.011
——	3-bromo-5-nitropyridine-4-thiol	31872-81-8	C₅H₃BrN₂O₂S	235.061
3-溴-4-甲基-5-硝基吡啶	3-bromo-4-methyl-5-nitropyridine	69872-15-7	C₆H₅BrN₂O₂	217.022

反应信息

作为反应物：

描述：

3-溴-4-羟基-5-硝基吡啶在甲醇、五氯化磷、三氯氧磷作用下，生成 3-溴-4-甲氧基-5-硝基吡啶

参考文献：

名称：

Bremer, Justus Liebigs Annalen der Chemie, 1937, vol. 529, p. 291

摘要：

DOI：
作为产物：

描述：

4-羟基-3-硝基吡啶在溴作用下，以水为溶剂，以84.87 %的产率得到3-溴-4-羟基-5-硝基吡啶

参考文献：

名称：

[EN] BICYCLIC-SUBSTITUTED GLUTARIMIDE CEREBLON BINDERS
[FR] LIANTS DE CÉRÉBLON DE GLUTARIMIDE À SUBSTITUTION BICYCLIQUE

摘要：

本发明提供与脑龙结合的 Degron 化合物，脑龙是 E3 泛素连接酶的一个组成部分。本发明提供的 Degron 可单独用于调节大脑龙的活性，也可与尾部共价连接。另外，Degron 还可以与靶向配体连接，靶向配体可与靶蛋白结合进行蛋白降解。

公开号：

WO2023239750A1

点击查看最新优质反应信息

文献信息

[EN] COMPOUNDS<br/>[FR] COMPOSÉS

申请人：GLAXO GROUP LTD

公开号：WO2010145201A1

公开（公告）日：2010-12-23

The present invention discloses novel compounds having pharmacological activity, processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of various disorders.

本发明公开了具有药理活性的新化合物，其制备方法，含有它们的药物组合物以及它们在治疗各种疾病中的用途。
[EN] PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF<br/>[FR] DERIVES DE PYRROLO[3,2-B]PYRIDINE ET LEURS PROCEDES DE PREPARATION

申请人：YUHAN CORP

公开号：WO2006038773A1

公开（公告）日：2006-04-13

The present invention provides novel pyrrolo[3,2-b]pyridine derivatives or pharmaceutically acceptable salts thereof, processes for the preparation thereof, and compositions comprising the same. The pyrrolo[3,2-b]pyridine derivatives or pharmaceutically acceptable salts thereof of the present invention have excellent proton pump inhibition effects and possess the ability to attain a reversible proton pump inhibitory effect.

本发明提供了新颖的吡咯并[3,2-b]吡啶衍生物或其药用可接受盐，以及其制备方法和包含它们的组合物。本发明的吡咯并[3,2-b]吡啶衍生物或其药用可接受盐具有出色的质子泵抑制效果，并具有获得可逆质子泵抑制效果的能力。
[EN] SUBSTITUTED 5-CYANOINDOLE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE 5-CYANOINDOLE SUBSTITUÉS ET LEURS UTILISATIONS

申请人：NOVARTIS AG

公开号：WO2018234978A1

公开（公告）日：2018-12-27

A compound of Formula (I), or a pharmaceutically acceptable salt thereof, is provided that has been shown to be useful for the treatment of lysine (K)-specific demethylase 1A (LSD1) - mediated diseases or disorders, Formula (I), wherein R1, R2, R3, R4, and R5 are as defined herein.

提供了一种化合物Formula (I)或其药用可接受的盐，已被证明对于治疗赖氨酸（K）特异性去甲基化酶1A（LSD1）介导的疾病或紊乱是有用的，Formula (I)，其中R1、R2、R3、R4和R5如本文所定义。
Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors

申请人：D'Orchymont Hugues

公开号：US20060004000A1

公开（公告）日：2006-01-05

Compound corresponding to general formula (I): in which, R 1 represents a hydrogen or halogen atom, an NH 2 , NHR 2 , NHCOR 2 , NO 2 , CN, CH 2 NH 2 and CH 2 NHR 2 ; or alternatively R 1 represents an optionally substituted phenyl or an optionally substituted heteroaromatic group; Ar represents an optionally substituted phenyl group or an optionally substituted heteroaromatic group; n represents 0, 1, 2 or 3; in the form of a base, of an addition salt with an acid, of a hydrate or of a solvate. Application in therapy.

通用公式（I）对应的化合物：其中，R1代表氢原子或卤素原子，NH2，NHR2，NHCOR2，NO2，CN，CH2NH2和CH2NHR2；或者R1代表可选择取代的苯基或可选择取代的杂环芳基；Ar代表可选择取代的苯基或可选择取代的杂环芳基；n表示0、1、2或3；以碱、与酸的加合盐、水合物或溶剂化合物的形式。在治疗中的应用。
INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA

申请人：D'ORCHYMONT Hugues

公开号：US20070185187A1

公开（公告）日：2007-08-09

The invention relates to methods of treating or preventing malaria which comprises administering to a patient in need thereof, an effective amount of a 1H-indazole-3-carboxamide derivative of general formula (I), in the form of a base or of an addition salt with an acid, or in the form of a hydrate or of a solvate of said base or acid addition salt.

该发明涉及治疗或预防疟疾的方法，包括向需要的患者施用一种通式（I）的1H-吲唑-3-羧酰胺衍生物的有效量，其为碱式或与酸形成的加合盐的形式，或为所述碱式或酸性加合盐的水合物或溶剂化合物的形式。

3-溴-4-羟基-5-硝基吡啶 | 31872-65-8

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

制备方法与用途

上下游信息

反应信息

文献信息

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