2-氯-6-甲基苄腈

2-氯-6-甲基苄腈 基本信息
CAS号 6575-09-3 分子式 C8H6ClN
分子量 151.59595 精确质量 　151.01888
PSA 　23.79000 LogP 　2.52008
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
6575-09-3
3D弹球模型：
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分子式：
C8H6ClN
分子量：
151.59595
中文名称：
2-氯-6-甲基苄腈
英文名称：
Benzonitrile, 2-chloro-6-methyl-
中文别名：
2-氯-6-甲基苄腈;
2-氯-6-甲基苯甲腈
英文别名：
Benzonitrile, 2-chloro-6-methyl-;
o-Tolunitrile, 6-chloro- (6CI,7CI,8CI);
2-Chloro-6-methylbenzonitrile;
1-Cyano-2-chloro-6-methylbenzene;
2-Cyano-3-chlorotoluene;
6-Chloro-2-methylbenzonitrile;
NSC 80657
精确分子量/精确质量：
151.01888
极性分子表面积/PSA：
23.79000
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。
贝尔斯坦号/MDL：
MFCD00001782
EINECS：
229-499-5
PubChem：
24847645
BRN：
2246414
InChI：
InChI=1/C8H6ClN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3

物化性质展开↓

密度：
1.19g/cm3
熔点：
79-81 °C(lit.)
沸点：
143 °C38 mm Hg(lit.)
闪点：
143°C/38mm
折射率：
1.553

安全信息展开↓

包装等级：
III
风险类别：
6.1
海关代码：
2926909090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R20/21
安全说明：
S23
安全标志：
S23:不要吸入蒸汽。
危险标志：
Xn:Harmful;

合成路线查看所有的合成路线

  • 529-19-1

    邻甲基苯腈

  • →

    ~71%

  • 6575-09-3

    2-氯-6-甲基苄腈

  • 151-50-8

    氰化钾

  • +

  • 87-63-8

    2-氯-6-甲基苯胺

  • →

  • 6575-09-3

    2-氯-6-甲基苄腈

  • 56043-01-7

    2-氨基-6-甲基苯腈

  • →

  • 6575-09-3

    2-氯-6-甲基苄腈

MSDS 展开↓

Name: 2-Chloro-6-Methylbenzonitrile 97% Material Safety Data Sheet
Synonym: None known
CAS: 6575-09-3
Section 1 - Chemical Product   MSDS Name:2-Chloro-6-Methylbenzonitrile 97% Material Safety Data Sheet
Synonym:None known
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6575-09-3 2-Chloro-6-Methylbenzonitrile 97 229-499-5
Hazard Symbols: XN
Risk Phrases: 20/21
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation and in contact with skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration.
Chronic:
May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6575-09-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: beige
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 143 deg C @ 38.00mm Hg
Freezing/Melting Point: 79.00 - 81.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H6ClN
Molecular Weight: 151.60
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, hydrogen cyanide, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 6575-09-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloro-6-Methylbenzonitrile - Not listed by ACGIH, IARC, or NTP.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21 Harmful by inhalation and in contact with
skin.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 6575-09-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6575-09-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6575-09-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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
摘要/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%

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：40.77

2、摩尔体积（cm3/mol）：127.3

3、等张比容（90.2K）：328.4

4、表面张力（dyne/cm）：44.2

5、介电常数：无可用的

6、极化率（10-24cm3）：16.16

7、单一同位素质量：151.018877 Da

8、标称质量：151 Da

9、平均质量：151.5929 Da

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