209958-45-2

209958-45-2结构式

常用中文名：3-(2-甲酰基-1H-吡咯-1-基)苯甲腈
常用英文名：3-(2-FORMYL-1H-PYRROL-1-YL)BENZONITRILE
CAS号：209958-45-2
分子式：C₁₂H₈N₂O
分子量：196.20500
发布时间：2018-07-31 21:45:46
更新时间：2024-01-10 15:46:18

中文名	3-(2-甲酰基-1H-吡咯-1-基)苯甲腈
英文名	3-(2-formylpyrrol-1-yl)benzonitrile
英文别名	MFCD03086206

密度	1.13g/cm3
沸点	377.4ºC at 760 mmHg
熔点	145ºC
分子式	C₁₂H₈N₂O
分子量	196.20500
闪点	182.1ºC
精确质量	196.06400
PSA	45.79000
LogP	2.16148
外观性状	固体
蒸汽压	6.76E-06mmHg at 25°C
折射率	1.601
储存条件	2-8°C

Name:	3-(2-Formyl-1H-pyrrol-1-yl)benzonitrile 97% Material Safety Data Sheet
Synonym:
CAS:	209958-45-2

Section 1 - Chemical Product MSDS Name:3-(2-Formyl-1H-pyrrol-1-yl)benzonitrile 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
209958-45-2	3-(2-Formyl-1H-pyrrol-1-yl)benzonitril		unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION

EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.Air sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause 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.
Store under nitrogen.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 209958-45-2: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 145 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: C12H8N2O
Molecular Weight: 196.21

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to air.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 209958-45-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(2-Formyl-1H-pyrrol-1-yl)benzonitrile - 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.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 209958-45-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 209958-45-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 209958-45-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

危害码 (欧洲)	Xn:Harmful;
风险声明 (欧洲)	R20/21/22
安全声明 (欧洲)	36/37
危险品运输编码	UN 3439
海关编码	2933990090

68-12-2

175134-98-2

~83%

209958-45-2

文献：Pinto; Orwat; Wang; Fevig; Quan; Amparo; Cacciola; Rossi; Alexander; Smallwood; Luettgen; Liang; Aungst; Wright; Knabb; Wong; Wexler; Lam Journal of Medicinal Chemistry, 2001 , vol. 44, # 4 p. 566 - 578

2237-30-1

209958-45-2

文献：Journal of Medicinal Chemistry, , vol. 44, # 4 p. 566 - 578

98-01-1

2237-30-1

209958-45-2

文献：Chemische Berichte, , vol. 85, p. 483,486

上游产品 4
68-12-2 175134-98-2 2237-30-1 98-01-1
下游产品 0

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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