기본 정보
- 표준 SMILES
Clc1cccc(Cl)n1- InChIKey
FILKGCRCWDMBKA-UHFFFAOYSA-N- 분자식
- C5H3Cl2N
- 평균 분자량
- 147.99 g/mol
- 단동위원소 질량
- 146.9642545
이름 및 식별자
- 우선 이름
- 2,6-Dichloropyridine
- IUPAC
- 2,6-dichloropyridine
- 현지명
- 2,6-디클로로피리딘
- 영어명
- 2,6-Dichloropyridine
- 분자식
- C5H3Cl2N
- 분자량
- 147.99
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
2402-78-0- PubChem CID
- 16989
- DTXSID
DTXSID2051895- ChEMBL
CHEMBL3561947- UNII
- WM26PC2SBW
- EC Number
- 219-282-3
- Nikkaji
- J51.304K
물성
구조 계산 물성
- 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
- 68
실험 및 물리화학적 성질
Physical Description
Wet Solid
White crystalline solid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 83 · 83-86 °C (lit.)
- 끓는 점
- 211 °C · 211 °C
- 밀도
- 1.5159 · 1.5159 (rough estimate)
- 굴절률
- 1.55 · 1.5500 (estimate)
- 인화점
- 110 °C · 110°C
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 50 mg/mL, · 메탄올: 50mg/mL, 투명
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- -3.02 · -3.02±0.10(Predicted)
- 색상
- 흰색에서 분홍색 또는 회백색
- 수소이온지수(pH)
- 6 · 6-7 (H2O, 20℃)(saturated solution)
- 수용성
- 1 g/L · <1g/L(20℃)
- BRN
- 108664 · 108664
- InChI
- 1S/C5H3Cl2N/c6-4-2-1-3-5(7)8-4/h1-3H
- InChIKey
- FILKGCRCWDMBKA-UHFFFAOYSA-N
- SMILES
- Clc1cccc(Cl)n1
- NIST
- 2 · Pyridine, 2,6-dichloro-(2402-78-0)
- EPA
- 2 · 2,6-Dichloropyridine (2402-78-0)
화학적 성질
White to light yellow solid
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (96.6%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (15.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (15.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (12.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 58 reports by companies from 7 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.
유해성 정보
Regulatory Information
Pyridine, 2,6-dichloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2,6-dichloro- 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)
Pyridine, 2,6-dichloro-: Does not have an individual approval but may be used under an appropriate group standard
독성 정보
규제 정보
Regulatory Information
Pyridine, 2,6-dichloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2,6-dichloro- 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)
Pyridine, 2,6-dichloro-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- US8400000
- ridadr
- UN 2811 6.1/PG 2
- 독성
- mouse,LD50,intraperitoneal,115mg/kg (115mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LIVER: FATTY LIVER DEGERATIONBEHAVIORAL: ANTIPSYCHOTIC,Toxicology and Applied Pharmacology. Vol. 11, Pg. 361, 1967.
- HS 번호
- 29333999
- risk_code
- 25-36/37/38-22-23/24/25
- hazard_code
- T,Xn
- safety_code
- 36/37/39-45-37/39-26-36
- 포장분류
- III
- 위험 등급
- 6.1
- 위험 참고 사항
- Toxic
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
용도 및 제조
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Pyridine, 2,6-dichloro-: ACTIVE
응용 분야
개요2,6-Dichloropyridine is an important intermediate that is widely used in the medicine and pesticide research field. It could be used as a starting material to synthesize the pirozadil (Pirozadil) which can be used for reducing blood-fat, and antiplatelet condensation. 2,6-dichloropyridine also can be used to synthetic musk pyridine with alternative natural musk. 2,3,5, 6-TCP produced by further chlorination of 2, 6-dichloropyridine is an important raw material for chlorpyrifos, which is widely used in the world with high efficiency, broad spectrum, and low residue.
용도2,6-Dichloropyridine is used in the preparation of triazolo and imidazo potassium channel antagonists as antiarrythmic agents.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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