623-12-1 (对氯苯甲醚,1-chloro-4-methoxybenzene)

CAS号:
623-12-1
中文名称:
对氯苯甲醚
英文名称:
1-chloro-4-methoxybenzene
分子式:
C7H7ClO
分子量:
142.582881212234
简介:
对氯苯甲醚是一种有机化合物,分子式为C7H7ClO。

对氯苯甲醚(623-12-1)名称与标识符

名称

中文别名:
对氯苯甲醚;4-氯苯甲醚;1-氯-4-甲氧基苯;对氯茴香醚;4-氯化茴香醚;4-氯-1-甲氧基苯;4-氯茴香醚;4-Chloroanisole 4-氯苯甲醚;4-Chloroanisole,certified 标准品;4-氯苯甲醚, 178.00;对氯苯甲醚(4-氯苯甲醚);4-氯苯甲醚,4-Chloroanisole,AR;4-氯苯甲醚,4-Chloroanisole,标准品;
英文别名:
1-Chloro-4-methoxybenzene;4-CHLOROANISOLE;P-CHLOROANISOLE;4-Chlorophenol methyl ether;Anisole, p-chloro-;Benzene,1-chloro-4-methoxy-;para-Chloroanisole;p-chloroanisol;p-Chloromethoxybenzene;p-Chlorophenyl methyl ether;4-Chloroanisol;4-CHLOROANISOLE PESTANAL;3 4-Chloroanisole;4-Chlorophenyl methyl ether;4-Methoxyphenyl chloride;Methyl(4-chlorophenyl) ether;2-methyl-4-chloro phenol,4-chloro anisole;Benzene, 1-chloro-4-methoxy-;Anisyl chloride;1-chloro-4-methoxy-benzene;4-METHOXYCHLOROBENZENE;1-methoxy-4-chlorobenzene;0F18BLY08Q;YRGAYAGBVIXNAQ-UHFFFAOYSA-N;4-Monochloroanisole;p-Chloro anisole;4-chloro-anisole;p-ani;AKOS008948222;p-methoxychlorobenzene;A833710;AS-12682;6H-Cyclohepta[b]quinolin-11-amine, 7,8,9,10-tetrahydro-;EN300-65450;NSC 4129;4-Chloroanisole, 99%;SCHEMBL11036846;NSC-4129;NSC4129;Q27236691;AC-14974;AI3-07211;UNII-0F18BLY08Q;4-Chloroanisole--d4;W-105012;1219804-86-0;MFCD00000616;p-anisolyl chloride;1-chloro-4-methoxy-benzene;4-Chloroanisole;NS00035003;SY005701;SCHEMBL154527;CS-W011015;InChI=1/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H;p-methoxyphenyl chloride;DTXSID1060764;623-12-1;FT-0618165;F0001-1669;SCHEMBL12015226;AMY5182;EINECS 210-772-2;pChloroanisole;1Chloro4methoxybenzene;4Chlorophenol methyl ether;Anisole, pchloro;Benzene, 1chloro4methoxy;Anisole, pchloro (8CI);pChloromethoxybenzene;Anisole, p-chloro-(8CI);STL301917;DTXCID7043295;pChlorophenyl methyl ether;4Monochloroanisole;DB-054127;210-772-2;FC64630;

标识符

MDL:
MFCD00000616
InChIKey:
YRGAYAGBVIXNAQ-UHFFFAOYSA-N
Inchi:
1S/C7H7ClO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
SMILES:
ClC1C=CC(=CC=1)OC
BRN:
1858901

对氯苯甲醚(623-12-1)物化性质

实验特性

  • LogP : 2.34860
  • PSA : 9.23000
  • 折射率 : n20/D 1.535(lit.)
  • 水溶性 : 不溶
  • 沸点 : 198°C(lit.)
  • 熔点 : -18°C(lit.)
  • 闪点 : 华氏:165.2 °F
    摄氏:74 °C
  • 颜色与性状 : 无色液体。
  • 稳定性 : Stable. Combustible. Incompatible with strong oxidizing agents.
  • 溶解性 : 不能溶于水。
  • 密度 : 1.164 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 142.01900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 1
  • 同位素质量 : 142.0185425g/mol
  • 重原子数量 : 9
  • 复杂度 : 77
  • 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) : 2.8
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 9.2

对氯苯甲醚(623-12-1)安全信息

对氯苯甲醚(623-12-1)国际标准相关数据

EINECS:
4129

对氯苯甲醚(623-12-1)海关数据

海关编码:
29093090
海关数据:

中国海关编码:

2909309090

概述:

2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物(包括亚硝化衍生物)。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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对氯苯甲醚(623-12-1)相关文献

对氯苯甲醚(623-12-1)参考资料

Reaxys RN:
1858901
Beilstein:
6,186
PubChem CID:

对氯苯甲醚(623-12-1) MSDS

基础信息

Name:4-Chloroanisole 99% Material Safety Data Sheet
Synonym:1-Chloro-4-Methoxybenzene
CAS:623-12-1
Section 1 - Chemical Product ? MSDS Name:4-Chloroanisole 99% Material Safety Data Sheet
Synonym:1-Chloro-4-Methoxybenzene

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
623-12-14-Chloroanisole99%210-772-2
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause central nervous system depression.
Inhalation:
May cause respiratory tract irritation. Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately 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 breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Use water spray to keep fire-exposed containers cool. Combustible liquid.
Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray to cool fire-exposed containers. 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from sources of ignition. 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# 623-12-1: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Liquid
Color: light yellow or yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 198 - 202 deg C @ 760.00mmHg
Freezing/Melting Point: 18 deg C
Autoignition Temperature: Not applicable.
Flash Point: 78 deg C ( 172.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: immiscible
Specific Gravity/Density: 1.1640g/cm3
Molecular Formula: C7H7ClO
Molecular Weight: 142.58

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 623-12-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Chloroanisole - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
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# 623-12-1: No information available.
Canada
CAS# 623-12-1 is listed on Canada's NDSL List.
CAS# 623-12-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 623-12-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A