2-Chloro-3-methylpyridine
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기본 정보
- CAS
18368-76-8- 표준 SMILES
Cc1cccnc1Cl- InChIKey
RKVUCIFREKHYTL-UHFFFAOYSA-N- 분자식
- C6H6ClN
- 평균 분자량
- 127.57 g/mol
- 단동위원소 질량
- 127.01887687
이름 및 식별자
- 우선 이름
- 2-Chloro-3-methylpyridine
- IUPAC
- 2-chloro-3-methylpyridine
- 영어명
- 2-Chloro-3-methylpyridine
- 분자식
- C6H6ClN
- 분자량
- 127.57
이름 및 동의어
2-Chloro-3-methylpyridine18368-76-8EINECS 242-242-1DTXSID00171461RefChem:468727DTXCID2093952242-242-12-Chloro-3-picoline2-Chloro 3-methylpyridineMFCD00234177Pyridine, 2-chloro-3-methyl-2-chloro-3-methyl-pyridine
이름 더 보기
2-Chlor-3-methylpyridin2-CHLORO-3-METHYLPYRRIDINE2-Chloro-3-Pilcoline2-CHLORO-3-METHYLP...2-Chloro-3-picoline,98%2-Choro-3-methypyridine2-Chloro-3-mehyl pyridine
2-chloro-methyl-pyridine2-Chloro-3-methylpyridine, 97%AB05179SY017766C1885EN300-560573-Picoline, 2-chloro-2-chloro-3-methyl pyridine
데이터베이스 식별자
- CAS
18368-76-8- PubChem CID
- 87603
- DTXSID
DTXSID00171461- ChEMBL
CHEMBL4648536- EC Number
- 242-242-1
- Nikkaji
- J100.608H
물성
구조 계산 물성보충 중
- XLogP
- 2.2
- 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
- 74.9
물리화학적 성질
- 녹는점
- 193 °C · 193 °C
- 끓는 점
- 192 · 192-193 °C/751 mmHg (lit.)
- 밀도
- 1.17 g/mL · 1.17 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.533(lit.)
- 인화점
- 175 °F · 175 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 산도 계수 (pKa)
- 0.75 · 0.75±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색~연황색
- Specific Gravity
- 1.17 · 1.170
- BRN
- 107895 · 107895
- InChI
- InChI=1S/C6H6ClN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
- InChIKey
- RKVUCIFREKHYTL-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=CC=C1C
화학적 성질
colorless to light yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (12.8%)
안전 데이터
- wgk
- 3
- ridadr
- 2810
- HS 번호
- 29333990
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39
- 포장분류
- III
- 위험 등급
- 6.1
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
개요2-Chloro-3-methylpyridine is an intermediate for many medicines and pesticides, such as fluazifop, nicosulfuron, and fluazifop. Moreover, with the gradual promotion of these new high-efficiency and low-toxic heterocyclic pesticides, 2-chloro-3-methylpyridine is increasing. The industrial method for preparing 2-chloro-3-methylpyridine is to obtain it by site-specific chlorination of 3-methylpyridine. First, 3-methylpyridine is epoxidized and then chlorinated. The main chlorinated 3-methylpyridine is a mixture of 2-chloro-3-methylpyridine and 2-chloro-5-methylpyridine, of which 2-chloro-3-methylpyridine accounts for 20% (mass).
용도2-Chloro-3-methylpyridine is an active ingredient and a major constituent of imidaclopide, a systemic insecticide that acts as insect neurotoxin and belongs to a class of chemical called the neonicotinoids.
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