3,5-Dimethylpyridine
기본 정보
- CAS
591-22-0- 표준 SMILES
Cc1cncc(C)c1- InChIKey
HWWYDZCSSYKIAD-UHFFFAOYSA-N- 분자식
- C7H9N
- 평균 분자량
- 107.15 g/mol
- 단동위원소 질량
- 107.07349929
이름 및 식별자
- 우선 이름
- 3,5-Dimethylpyridine
- IUPAC
- 3,5-dimethylpyridine
- 영어명
- 3,5-Lutidine
- 분자식
- C7H9N
- 분자량
- 107.15
이름 및 동의어
3,5-DIMETHYLPYRIDINE3,5-Lutidine591-22-0Pyridine, 3,5-dimethyl-DTXSID50522546Q4YPZ045VNSC-60736DTXCID0030825RefChem:91617209-708-63,5-dimethyl-pyridineMFCD00006404
이름 더 보기
35LLutidine,98%3,5-Lutidine>3,5-Lutidine,99%3,5-LUTIDINE, 98+%3,5-Dimetylpyridine3,5-dimethyl-pyridin
3,5-Dimethylpyridine; NSC 607363,5-LutdcineNicotine Impurity 6UNII-6Q4YPZ045V3,5 lutidineNSC60736EINECS 209-708-6NSC 60736
데이터베이스 식별자
- CAS
591-22-0- PubChem CID
- 11565
- DTXSID
DTXSID5052254- UNII
- 6Q4YPZ045V
- EC Number
- 209-708-6
- Nikkaji
- J6.756C
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 12.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 62.8
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Pyridines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.74
Flavoring AgentsEU Flavoring substances
Vapor Pressure1.74 [mmHg]
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid
Colorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- -9 °C · -9 °C (lit.)
- 끓는 점
- 169 · 169-170 °C (lit.)
- 밀도
- 0.939 g/mL · 0.939 g/mL at 25 °C (lit.)
- 증기압
- 1.5 mm · 1.5 mm Hg ( 20 °C)
- 굴절률
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
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.
유해성 정보
Regulatory Information
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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)
REACH registered substance: 3,5-dimethylpyridine (EC: 209-708-6)
3,5-Dimethylpyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; Toxic by ingestion and inhalation; Harmful by skin absorption; [Alfa Aesar MSDS] See Pyridine.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29333999
화학 및 산업
용도 및 제조
U.S. Production2023: <75,000 lb
General Manufacturing InformationPyridine, 3,5-dimethyl-: ACTIVE
응용 분야
용도3,5-Lutidine is a reactant used in the synthesis of phthalazine and pyrazine compounds, as well as other pharmaceuticals.
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