4-비닐피리딘

4-비닐피리딘 · 4VP · 4-바이닐피리딘 · 4-에테닐피리딘 · 4-에텐일피리딘 · 감마-바이닐피리딘 · 감마-비닐피리딘 · 피리딘, 4-바이닐-

식별자 및 물리적 특성

CAS No.	100-43-6
분자식	C7H7N
평균 분자량	105.14 g/mol
단동위원소 질량	105.05784923 g/mol
SMILES	C=Cc1ccncc1
InChIKey	KFDVPJUYSDEJTH-UHFFFAOYSA-N
PubChem CID	7502
ChEMBL	CHEMBL4550330
EC No.	202-852-0
DTXSID	DTXSID0051499
현지명	4-비닐피리딘

화학 및 물리적 성질

XLogP	1.6
극성 표면적	12.9
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	8
형식 전하	0
복잡도	72
냄새	Pungent unpleasant odor
밀도	0.9800 @ 20 °C/4 °C0.975 g/mL at 25 °C (lit.)
Color/Form	RED TO DARK BROWN LIQUID
용해도	Soluble in alcohol and chloroformslightly soluble in etherIn water, 29,100 mg/l @ 20 °C에 용해됨클로로포름, 메탄올 (약간 용해됨)
끓는 점	65 °C @ 15 mm Hg62-65 °C/15 mmHg (lit.)
Decomposition	DECOMPOSITION BY HEAT IS ACCOMPANIED BY RELEASE OF DANGEROUS CYANIDE FUMES.When heated to decomp ... emits toxic fumes of /nitrogen oxides/.
후각 역치	AT ... CONCN ... /ABOVE 0.5 PPM 4-VINYLPYRIDINE HAS/ A VERY UNPLEASANT NAUSEATING ODOR. THE UNPLEASANT ODOR CAN BE TOLERATED @ CONCN THAT WILL PRODUCE ACUTE SYMPTOMS & IRRITATIONS.... ACCLIMATIZED INDIVIDUALS CAN READILY LEARN TO TOLERATE CONCN THAT WILL CAUSE ACUTE SYMPTOMS & IRRITATION. ... OLFACTORY FATIGUE OCCURS QUICKLY.1.16 mg/cu m (odor low)1.94 mg/cu m (odor high).
증기압	1.71 [mmHg]VP: 2 mm Hg @ 25 °C1.71 mm Hg @ 25 °C2.28hPa at 25℃
굴절률	INDEX OF REFRACTION: 1.5449 @ 20 °C/DMAX ABSORPTION (ALC): 242.5 NM (LOG E= 4.12)SADTLER REF NUMBER: 1249 (IR, PRISM)n20/D 1.549(lit.)
Physical Description	LiquidRed to dark-brown liquid[HSDB]
Dissociation Constants	pKa= 5.62 (conjugate acid)
Kovats Retention Index	1026
녹는점	<25 °C
인화점	125 °F
저장 조건	-20°C
물리적 상태	액체
pKa(산도 계수)	pK1:5.62(+1) (25°C)
색상	투명한 무색~황갈색
용해도	29G/L(20℃)
BRN	104506
헨리 상수	1.2×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
안정성	안정적인. 강산, 강산화제와 호환되지 않습니다.
InChI	1S/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2
InChIKey	KFDVPJUYSDEJTH-UHFFFAOYSA-N
SMILES	C=Cc1ccncc1
LogP(분배 계수)	1.36 at 20℃
NIST	Pyridine, 4-ethenyl-(100-43-6)
EPA	4-Vinylpyridine (100-43-6)

화학적 성질

dark brown to yellow liquid. 2.9g can be dissolved in 100g of water at 20℃, soluble in methanol, ether, benzene, acetone, and slightly soluble in ether. When exposed to light and heat, polymerization occurs, and 0.1%-0.2% hydroquinone is often added as a polymerization inhibitor during storage.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 16.6% (37 of 223) of reports.DangerH226 (83.4%): Flammable liquid and vapor [Warning Flammable liquids]H301 (78%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (52%): Toxic in contact with skin [Danger Acute toxicity, dermal]H314 (75.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H317 (83%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (50.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H330 (13%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (50.2%): Toxic if inhaled [Danger Acute toxicity, inhalation]H411 (57.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 223 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 37 of 223 reports by companies.There are 14 notifications provided by 186 of 223 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Chemical: Pyridine, 4-ethenyl-Pyridine, 4-ethenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 4-ethenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 24-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/101264-Vinylpyridine: Does not have an individual approval but may be used under an appropriate group standard

GHS 분류

This chemical does not meet GHS hazard criteria for 16.6% (37 of 223) of reports.DangerH226 (83.4%): Flammable liquid and vapor [Warning Flammable liquids]H301 (78%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (52%): Toxic in contact with skin [Danger Acute toxicity, dermal]H314 (75.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H317 (83%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (50.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H330 (13%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (50.2%): Toxic if inhaled [Danger Acute toxicity, inhalation]H411 (57.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 223 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 37 of 223 reports by companies.There are 14 notifications provided by 186 of 223 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

규제 정보

Chemical: Pyridine, 4-ethenyl-Pyridine, 4-ethenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 4-ethenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 24-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/101264-Vinylpyridine: Does not have an individual approval but may be used under an appropriate group standard

용도

4-Vinylpyridine acts as a co-monomer in styrene-butadiene polymers to promote adhesion between the rubber compound and supporting fibers (or cords) in tires, belts and hoses. It serves as an intermediate for manufacturing chemicals and pharmaceuticals. Further, it is used as a reagent for the modification of cysteine. In addition to this, it is used to make poly(4-vinylpyridine) and elastomers.

제조 및 합성 방법

제조 방법

4-Vinylpyridine is synthesized by reacting 4-picoline with formaldehyde to generate 4-pyridineethanol, which is then dehydrated.