cas号： 13319-71-6 ，名称： 6-溴-2-甲基苯酚的性质/作用/用途-化学加百科

6-溴-2-甲基苯酚

6-溴-2-甲基苯酚基本信息
CAS号	13319-71-6	分子式	C7H7BrO
分子量	187.03400	精确质量	185.96800
PSA	20.23000	LogP	2.46310

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基本信息物化性质合成路线 MSDS 结构与计算数据上下游

基本信息展开↓

CAS号：: 13319-71-6
3D弹球模型：: 立即前往扯扯看
分子式：: C7H7BrO
分子量：: 187.03400
中文名称：: 6-溴-2-甲基苯酚
英文名称：: 2-Bromo-6-methylphenol
中文别名：: 6-溴-2-甲基苯酚;
6-溴邻甲酚;
2-溴-6-甲基苯酚
英文别名：: 2-Bromo-6-methylphenol;
2-bromo-6-methylphenol;
6-BroMo-o-cresol
精确分子量/精确质量：: 185.96800
极性分子表面积/PSA：: 20.23000
油水分配系数/LogP：: LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：: InChI=1/C7H7BrO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3

物化性质展开↓

密度：: 1.51
熔点：: 16ºC
沸点：: 208ºC
闪点：: 79.532ºC
折射率：: 1.591
蒸汽压：: 0.153mmHg at 25°C
其它信息：: 1.       性状：未确定
2.       密度（g/mL,25℃）：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，4mmHg）：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（20ºC）：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：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
1.       性状：未确定
2.       密度（g/mL,25℃）：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，4mmHg）：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（20ºC）：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：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

合成路线查看所有的合成路线

95-48-7

2-甲酚
→

~99%
13319-71-6

6-溴-2-甲基苯酚

95-48-7

2-甲酚
→

~93%
13319-71-6

6-溴-2-甲基苯酚
+
2362-12-1

4-溴-2-甲基苯酚

95-48-7

2-甲酚
→

~75%
13319-71-6

6-溴-2-甲基苯酚
+
2362-12-1

4-溴-2-甲基苯酚

MSDS 展开↓

6-Bromo-o-cresol Revision number: 1
SAFETY DATA SHEET

Section 1. BASE INFORMATION
Product name: 6-Bromo-o-cresol

Revision number: 1

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS
  Flammable liquids        Category 4
  HEALTH HAZARDS
  Skin corrosion/irritation        Category 2
    Category 2A
  Serious eye damage/eye irritation
  ENVIRONMENTAL HAZARDS        Not classified
  GHS label elements
  Pictograms or hazard symbols
  Signal word        Warning
  Hazard statement        Combustible liquid
    Causes skin irritation
    Causes serious eye irritation
  Precautionary statements
  [Prevention]        Keep away from flames and hot surfaces.
    Wash hands thoroughly after handling.
    Wear protective gloves and eye/face protection.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
  [Response]
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.
    Store in a well-ventilated place. Keep cool.
  [Storage]
  [Disposal]        Dispose of contents/container through a waste management company authorized by
    the local government

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance
  Component(s):        6-Bromo-o-cresol
    >94.0%(GC)
  Percent:
  CAS Number:        13319-71-6
    2-Bromo-6-methylphenol
  Synonyms:
  Chemical Formula:        C7H7BrO
  6-Bromo-o-cresol

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.
  media:
  Extinguishing media not to Solid streams of water
  be used:
  Specific hazards:        Take care as it may decompose upon combustion or in high temperatures to
    generate poisonous fume.
  Specific methods:        Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
  emergency procedures: around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
  hazards:        case of a fire. Use spark-proof tools and explosion-proof equipment.

Section 7. HANDLING AND STORAGE
  Handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.
    Prevent generation of vapor or mist. Keep away from flames and hot surfaces. Take
    measures to prevent the build up of electrostatic charge. Use explosion-proof
    equipment. Wash hands and face thoroughly after handling.
    Use a closed system, ventilation.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.
  Storage
  Storage conditions:        Keep container tightly closed. Store in a cool, dark and well-ventilated place.
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust as possible so that workers should not be
  Engineering controls:
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
  6-Bromo-o-cresol

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Hand protection:        Protective gloves.
  Eye protection:        Safety glasses. A face-shield, if the situation requires.
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid
    clear
  Form:
  Color:        Very pale yellow - Yellow
  Odor:        No data available
  pH: No data available
  Melting point/freezing point:16 °C
  Boiling Point/Range:        208 °C
  Flash Point:        No data available
  Explosive limits
    No data available
  Lower:
  Upper:        No data available
  Density:        1.51
  Solubility:        No data available

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.
  Reactivity:        No special reactivity has been reported.
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen bromide
  Products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available
  Skin corrosion/irritation: No data available
  Serious eye        No data available
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available
    No data available
  Reproductive toxicity:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available
  Crustacea:        No data available
  Algae:        No data available
  Persistence / degradability: No data available
  Bioaccumulative        No data available
  potential(BCF):
  Mobillity in soil
  log Pow:        No data available
  Soil adsorption (Koc):        No data available
  Henry's Law        No data available
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.
  6-Bromo-o-cresol

Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not Listed

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据

1、摩尔折射率：40.64

2、

摩尔体积（m³/mol）：120.3

3、

等张比容（90.2K）：310.4

4、

表面张力（dyne/cm）：44.3

5、

极化率（10^-24cm³

）：16.11

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:3

6.拓扑分子极性表面积20.2

7.重原子数量:9

8.表面电荷:0

9.复杂度:94.9

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

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