3,5-Dimethylpyridine

3,5-DIMETHYLPYRIDINE · 35L · Lutidine,98% · 3,5-LUTIDINE · 3,5-Lutidine>3,5-Lutidine,99% · 3,5-LUTIDINE, 98+% · 3,5-Dimetylpyridine · Nicotine Impurity 6

https://huagongshe.com/ko/chemical/11565

식별자 및 물리적 특성

CAS No.	591-22-0
분자식	C7H9N
평균 분자량	107.15 g/mol
단동위원소 질량	107.07349929 g/mol
SMILES	Cc1cncc(C)c1
InChIKey	HWWYDZCSSYKIAD-UHFFFAOYSA-N
PubChem CID	11565
EC No.	209-708-6
DTXSID	DTXSID5052254

화학 및 물리적 성질

XLogP	1.8
극성 표면적	12.9
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	8
형식 전하	0
복잡도	62
증기압	1.74 [mmHg]1.5 mm Hg ( 20 °C)
Physical Description	LiquidColorless liquid with an unpleasant odor[Alfa Aesar MSDS]
Kovats Retention Index	957.7947.4963964952954974965972987951917924.4980970978.9980.5963.5961.4966967.7155.01141014151419139113901414140014051408
녹는점	-9 °C (lit.)
끓는 점	169-170 °C (lit.)
밀도	0.939 g/mL at 25 °C (lit.)
굴절률	n20/D 1.504(lit.)
인화점	128 °F
저장 조건	2-8°C
물리적 상태	액체
pKa(산도 계수)	6.15(at 25℃)
색상	맑은 노란색
용해도	33g/L(20℃)
비열	Cp(liquid): 1.72 J/(g·K), at 25℃
BRN	105682
헨리 상수	1.4×100 mol/(m3Pa) at 25℃, Andon et al. (1954)
InChI	1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3
InChIKey	HWWYDZCSSYKIAD-UHFFFAOYSA-N
SMILES	Cc1cncc(C)c1
LogP(분배 계수)	1.780
NIST	Pyridine, 3,5-dimethyl-(591-22-0)
EPA	3,5-Dimethylpyridine (591-22-0)

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H301+H331 (18.8%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oralacute toxicity, inhalation]H301 (71.8%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (28.2%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (48.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (51%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (32.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (67.8%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (10.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (96%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H330 (10.7%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (24.2%): Toxic if inhaled [Danger Acute toxicity, inhalation]H332 (63.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (77.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 149 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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, 3,5-dimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Pyridine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 3,5-dimethyl- 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)

GHS 분류

DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H301+H331 (18.8%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oralacute toxicity, inhalation]H301 (71.8%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (28.2%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (48.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (51%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (32.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (67.8%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (10.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (96%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H330 (10.7%): Fatal if inhaled [Danger Acute toxicity, inhalation]H331 (24.2%): Toxic if inhaled [Danger Acute toxicity, inhalation]H332 (63.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (77.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 149 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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, 3,5-dimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Pyridine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 3,5-dimethyl- 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)

용도

3,5-Lutidine is a reactant used in the synthesis of phthalazine and pyrazine compounds, as well as other pharmaceuticals.