CAS 22280-60-0 6-Chloro-2-methyl-3-nitropyridine (HCID 253123)

이름 및 식별자

우선 이름: 6-Chloro-2-methyl-3-nitropyridine
IUPAC: 6-chloro-2-methyl-3-nitropyridine
영어명: 6-Chloro-2-methyl-3-nitropyridine
분자식: C6H5ClN2O2
분자량: 172.57

이름 및 동의어

6-Chloro-2-methyl-3-nitropyridine22280-60-0DTXSID50291446RefChem:541548DTXCID10242590640-315-62-Chloro-5-nitro-6-methylpyridine2-Chloro-5-nitro-6-picoline6-Chloro-3-nitro-2-picoline6-Chloro-2-methyl-3-nitro-pyridineMFCD002341606-chloro-3-nitro-2-methylpyridine

이름 더 보기

2-CHLORO-6-METHYL-3-NITROPYRIDINETIMTEC-BB SBB003830TIMTEC-BB SBB0038326-Chloro-2-Methyl-3-nitro...2-CHLORO-6-METHYL-5-NITROPYRI6-Chloro-2-methyl-3-nitropyrid6-Chloro-3-nitro-2-picoline,98%

CS-D0965AKOS005256175SY0091146-Chloro-2-methyl-3-nitropyridine, AldrichCPREN300-107675Pyridine, 6-chloro-2-methyl-3-nitro-BCP22214NSC75592

데이터베이스 식별자

CAS: 22280-60-0
PubChem CID: 253123
DTXSID: DTXSID50291446
EC Number: 640-315-6

물성

구조 계산 물성

XLogP: 2
극성 표면적: 58.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: 54 · 54-58 °C
끓는 점: 200 °C · 200°C (rough estimate)
밀도: 1.561 · 1.5610 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): -3.26 · -3.26±0.10(Predicted)
물리적 상태: 가루
색상: 라이트 베이지부터 브라운까지
InChI: InChI=1S/C6H5ClN2O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3
InChIKey: GHSRMSJVYMITDX-UHFFFAOYSA-N
SMILES: C1(C)=NC(Cl)=CC=C1[N+]([O-])=O

화학적 성질

Light yellow Cryst

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (77.8%)

안전 데이터

HS 번호: 29333990
risk_code: 36/37/38-20/21/22-22
hazard_code: Xn,Xi
safety_code: 36/37/39-26
위험 등급: IRRITANT
위험 참고 사항: Harmful

화학 및 산업

응용 분야

용도6-Chloro-2-methyl-3-nitropyridine has been used as a reactant for the synthesis of fluorine-containing pyridinealdoxime derivatives as treatment of organophosphorus nerve-agent poisoning.

제조 방법 · 1건

A mixture of 2-oxo-5-nitro-6-methyl-1,2-dihydropyridine, phosphorous oxychloride, and phosphorous pentachloride was heated at 110° C for 2 hours, whereupon the reaction mixture was charged with an additional portion of phosphorous pentachloride and phosphorous oxychloride. The reaction was stirred for 1 hour and then poured into ice water. The brown solid was filtered and washed with cold water, to give 6-Chloro-2-methyl-3-nitropyridine (94%).