148901-53-5 (6-二甲氨基-2-氟-3-甲酰苯甲腈,6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile)

CAS号:
148901-53-5
中文名称:
6-二甲氨基-2-氟-3-甲酰苯甲腈
英文名称:
6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile
分子式:
C10H9FN2O
分子量:
192.189665555954

6-二甲氨基-2-氟-3-甲酰苯甲腈(148901-53-5)名称与标识符

名称

中文别名:
3-氰基-4-二甲氨基-2-氟苯甲醛;3-氰基-4-二甲胺基-2-氟代苯甲醛;6-二甲氨基-2-氟-3-甲酰苯甲腈;
英文别名:
6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile;Benzonitrile,6-(dimethylamino)-2-fluoro-3-formyl-;3-Cyano-4-dimethylamino-2-fluorobenzaldehyde;6-(dimethylamino)-2-fluoro-3-formylbenzenecarbonitrile;Benzonitrile,6-(dimethylamino)-2-fluoro-3-formyl;3-Cyano-4-(dimethylamino)-2-fluorobenzaldehyde, 2-Cyano-N,N-dimethyl-3-fluoro-4-formylaniline;3-Cyano-4-(dimethylamino)-2-fluorobenzaldehyde97%;3-Cyano-4-(dimethylamino)-2-fluorobenzaldehyde 97%;6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile 97%;6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile, 95+%;3-Cyano-4-(dimethylamino)-2-fluorobenzaldehyde;1,3-Dihydro-2H-pyrrolo[2,3-b]pyridin-2-one??;6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile, AldrichCPR;Benzonitrile, 6-(dimethylamino)-2-fluoro-3-formyl-;DTXSID70371557;MFCD00052668;FT-0620812;PS-8330;6-dimethylamino-2-fluoro-3-formylbenzonitrile;6-dimethylamino-2-fluoro-3-formyl-benzonitrile;AKOS006228637;ZGQREXNGDAXSQI-UHFFFAOYSA-N;SCHEMBL1591771;F95485;148901-53-5;A808822;

标识符

MDL:
MFCD00052668
InChIKey:
ZGQREXNGDAXSQI-UHFFFAOYSA-N
Inchi:
1S/C10H9FN2O/c1-13(2)9-4-3-7(6-14)10(11)8(9)5-12/h3-4,6H,1-2H3
SMILES:
FC1=C(C=O)C=CC(=C1C#N)N(C)C

6-二甲氨基-2-氟-3-甲酰苯甲腈(148901-53-5)物化性质

实验特性

  • LogP : 1.57588
  • PSA : 44.10000
  • 熔点 : 122-124°C
  • 颜色与性状 : 未确定
  • 溶解性 : 未确定

计算特性

  • 精确分子量 : 192.07000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 192.06989108g/mol
  • 重原子数量 : 14
  • 复杂度 : 258
  • 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) : 1.3
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 44.1Ų

6-二甲氨基-2-氟-3-甲酰苯甲腈(148901-53-5)安全信息

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6-二甲氨基-2-氟-3-甲酰苯甲腈(148901-53-5) MSDS

基础信息

Name:6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile 95+% Material Safety Data Sheet
Synonym:3-Cyano-4-dimethylamino-2-fluorobenzaldehyd
CAS:148901-53-5
Section 1 - Chemical Product ? MSDS Name:6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile 95+% Material Safety Data Sheet
Synonym:3-Cyano-4-dimethylamino-2-fluorobenzaldehyd

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
148901-53-56-(Dimethylamino)-2-fluoro-3-formylben95+%unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with 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.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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.

Section 7 - HANDLING and STORAGE
? Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 148901-53-5: Personal Protective Equipment Eyes: Not available.
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: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 125 - 127 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H9FN2O
Molecular Weight: 192

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Reducing agents, oxidizing agents, amines.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas, fluorine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 148901-53-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile - 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: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing group: III

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 148901-53-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 148901-53-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 148901-53-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A