基本信息
结构式：
CAS号：
140675-43-0
分子式：
C7H4FNO
分子量：
137.111165046692
名称与标识
名称
中文别名：
2-氟-6-羟基苯甲腈;2-氟-6-羟基苯腈;2-Fluoro-6-hydroxybenzonitrile 2-氟-6-羟基苯甲腈;2-溴-5-三氟甲基苯酚;4-溴-3-甲基吡唑;2-氟-6-羟基苄腈;2-氰基-3-氟苯酚;
英文别名：
2-Fluoro-6-hydroxybenzonitrile;2-Cyano-3-fluorophenol;6-FLUOROSALICYLONITRILE;
标识符
MDL：
MFCD03428592
InChIKey：
YEBHNFDMNFHZFF-UHFFFAOYSA-N
Inchi：
1S/C7H4FNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H
SMILES：
FC1=CC=CC(=C1C#N)O
BRN：
8403914
物化性质
实验特性
- LogP : 1.40298
- PSA : 44.02000
- 折射率 : 1.56
- 沸点 : 257.5°Cat760mmHg
- 熔点 : 155.0 to 159.0 deg-C
- 闪点 : 109.5°C
- 颜色与性状 : 白色粉末
- 溶解性 : 未确定
- 密度 : 1.34
计算特性
- 精确分子量 : 137.02800
- 氢键供体数量 : 1
- 氢键受体数量 : 3
- 可旋转化学键数量 : 0
- 同位素质量 : 137.028
- 重原子数量 : 10
- 复杂度 : 162
- 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） : 1.9
- 互变异构体数量 : 3
- 表面电荷 : 0
- 拓扑分子极性表面积 : 44A^2
安全信息
- 符号： GHS06
- 安全术语： S26;S36/37/39
- 安全说明： S26-S36/37/39
- 包装等级： III
- 风险术语： R20/22; R36/37/38
- 危险品标志： Xi
- 危险品运输编号： 3276
- 危害声明：H331,H302,H312,H315,H319,H335
- 警示性声明：P261,P305+P351+P338-P302+P352,P321,P405,P501A
- 提示语： 危险
- PackingGroup： III
- 危险类别码： 20/22-36/37/38
- 信号词： Danger
- HazardClass： 6.1
海关数据
海关编码：
2926909090
海关数据：
中国海关编码：
2926909090概述：
2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 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
Summary：
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
2-氟-6-羟基苯甲腈(140675-43-0)推荐厂家 更多厂家(32)
| 公司名称 | 手机号/电话 | 联系人 | 微信 | 询单 | |
|---|---|---|---|---|---|
| 上海源叶生物科技有限公司 | 15026964105 15026964105 | 汤思磊 |  2881489226 |    | 询单 |
| 赫澎（上海）生物科技有限公司 | 13122891558 186-16545970 | 张硕 | 3418426269 |  | 询单 |
| 赫澎（上海）生物科技有限公司 | 13122891558 186-16545970 | 张硕 | 3418426269 | | 询单 |
| JACS-郑州杰克斯化工产品有限公司 | 13223061139 0371-86259281 | 杰克斯JACS | 893596907 |  | 询单 |
| 上海瀚思化工有限公司 | 18939883912 021-34536277 | 顾经理 | 3003949364 |   | 询单 |
参考资料
Reaxys RN：
8403914
Beilstein：
8403914
PubChem CID：
2-氟-6-羟基苯甲腈(140675-43-0) MSDS
基础信息
Material Safety Data Sheet
Section 1. Identi?cation of the substance
Product Name: 2-Fluoro-6-hydroxybenzonitrile
Synonyms:
Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.
H331: Toxic if inhaled
H302: Harmful if swallowed
H312: Harmful in contact with skin
Causes skin irritation
H315:
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up
Section 3. Composition/information on ingredients.
Ingredient name: 2-Fluoro-6-hydroxybenzonitrile
CAS number: 140675-43-0
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.
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: C7H4FNO
Molecular weight: 137.1
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.
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: UN3439 Class: 6.1 Packing group: III
Proper shipping name: NITRILES, TOXIC, SOLID, N.O.S. (2-Fluoro-6-hydroxybenzonitrile)
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
Section 1. Identi?cation of the substance
Product Name: 2-Fluoro-6-hydroxybenzonitrile
Synonyms:
Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.
H331: Toxic if inhaled
H302: Harmful if swallowed
H312: Harmful in contact with skin
Causes skin irritation
H315:
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up
Section 3. Composition/information on ingredients.
Ingredient name: 2-Fluoro-6-hydroxybenzonitrile
CAS number: 140675-43-0
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.
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: C7H4FNO
Molecular weight: 137.1
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.
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: UN3439 Class: 6.1 Packing group: III
Proper shipping name: NITRILES, TOXIC, SOLID, N.O.S. (2-Fluoro-6-hydroxybenzonitrile)
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
