3,4-Dimethylpyridine

HCID 11417CAS 583-58-4

기본 정보

표준 SMILES: Cc1ccncc1C
InChIKey: NURQLCJSMXZBPC-UHFFFAOYSA-N
분자식: C7H9N
평균 분자량: 107.15 g/mol
단동위원소 질량: 107.07349929

이름 및 식별자

우선 이름: 3,4-Dimethylpyridine
IUPAC: 3,4-dimethylpyridine
영어명: 3,4-Lutidine
분자식: C7H9N
분자량: 107.15

이름 및 동의어

3,4-Lutidine3,4-DIMETHYLPYRIDINEPyridine, 3,4-dimethyl-UNII-FCU895KJ7HNSC 4675EINECS 209-511-5FCU895KJ7H3,4-LutideneBRN 0106583NSC-4675DTXSID10522445-20-06-00054 (Beilstein Handbook Reference)

이름 더 보기

34L4-Lutidine3,4-Lutidine98%(T)3,4-Lutidine3,4-LUTIDINE 98%AKOS BBS-000043914-DiMethylpyridine

3,4lutidine3,4Dimethylpyridin3,4DimetilpiridinaPyridine, 3,4dimethylRefChem:91225DTXCID6030815UN2929InChI=1/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H

데이터베이스 식별자

CAS: 583-58-4
PubChem CID: 11417
DTXSID: DTXSID1052244
UNII: FCU895KJ7H
EC Number: 209-511-5
Nikkaji: J7.443H

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 70.8

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Flavoring AgentsEU Flavoring substances

Vapor Pressure1.24 [mmHg]

Food Contact Substances · 2건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionColorless to light yellow liquid; [Jubilant Life Sciences MSDS]

물리화학적 성질

녹는점: -12 °C · -12 °C
끓는 점: 163 · 163-164 °C(lit.)
밀도: 0.954 g/mL · 0.954 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.511(lit.)
인화점: 129 °F · 129 °F
저장 조건: Flammables area
산도 계수 (pKa): 6.46 · 6.46(at 25℃)
물리적 상태: 투명한 액체
색상: 노란색
수용성: 52 g/L · 52 g/L (20 ºC)
비열: 1.79 J/ · Cp(liquid): 1.79 J/(g·K), at 25℃
BRN: 106583 · 106583
Henry's Law Constant: 2.7 · 2.7×100 mol/(m3Pa) at 25℃, Andon et al. (1954)
Dielectric constant: 11.47 · 11.470000000000001
LogP: 1.749 · 1.749 (est)
NIST: 3 · Pyridine, 3,4-dimethyl-(583-58-4)
EPA: 3 · 3,4-Dimethylpyridine (583-58-4)

화학적 성질

clear yellow to brownish liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Pyridine, 3,4-dimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

3,4-Dimethylpyridine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; Harmful by ingestion and inhalation; Toxic by skin absorption; [Jubilant Life Sciences MSDS] See Pyridine.

Hazard Classes and CategoriesFlam. Liq. 3 (97.9%)

독성 정보

Toxicity DataLCLo (rat) = 500 ppm/4hr

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: OK9800000
ridadr: UN 2929 6.1/PG 2
HS 번호: 29333999
risk_code: 10-23/24/25-36/37/38-24-20/22-23/24-22
hazard_code: T,F,Xi
safety_code: 16-26-36/37/39-45
포장분류: II
위험 등급: 6.1

화학 및 산업

용도 및 제조

UsesUsed as an intermediate in drug manufacture; [Jubilant Life Sciences MSDS]

General Manufacturing InformationPyridine, 3,4-dimethyl-: ACTIVE

응용 분야

용도3,4-Lutidine is used as an intermediate in the preparation of active pharmaceutical ingredient. It is used to prepare tetrhydropyridine derivatives by reduction.