2-Chloro-3-nitro-5-(trifluoromethyl)pyridine

HCID 4736950

노트 반응

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기본 정보

CAS: 72587-15-6
표준 SMILES: O=[N+]([O-])c1cc(C(F)(F)F)cnc1Cl
InChIKey: DRPIKFKCAJGTJF-UHFFFAOYSA-N
분자식: C6H2ClF3N2O2
평균 분자량: 226.54 g/mol
단동위원소 질량: 225.97568964

이름 및 식별자

우선 이름: 2-Chloro-3-nitro-5-(trifluoromethyl)pyridine
IUPAC: 2-chloro-3-nitro-5-(trifluoromethyl)pyridine
영어명: 2-CHLORO-3-NITRO-5-(TRIFLUOROMETHYL)PYRIDINE
분자식: C6H2ClF3N2O2
분자량: 226.54

이름 및 동의어

2-chloro-3-nitro-5-(trifluoromethyl)pyridine72587-15-6DTXSID40406103RefChem:258586DTXCID20356955689-099-5MFCD06255171Pyridine, 2-chloro-3-nitro-5-(trifluoromethyl)-2-CHLORO-5-(TRIFLUOROMETHYL)-3-NITROPYRIDINESCHEMBL572669AB23715CS-10667

이름 더 보기

2-Chloro-3-nitro-5-(trifluoromethyl)pyridine >6-Chloro-5-nitro-alpha,alpha,alpha-trifluoro-3-picoline2-CHLORO-3-NITRO-5-(TRIFLUOROMETHYL)PYRIDINE ISO 9001：2015 REACH

SY0178002-chloro-3-nitro-5-trifluoromethyl pyridine2-chloro-3-nitro-5-trifluoromethylpyridineAM62429FT-0654113A837569SCHEMBL29439786SBB039141

데이터베이스 식별자

CAS: 72587-15-6
PubChem CID: 4736950
DTXSID: DTXSID40406103
EC Number: 689-099-5
Nikkaji: J2.982.438J

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 58.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 230

물리화학적 성질

끓는 점: 242.3 · 242.3±35.0 °C(Predicted)
밀도: 1.618 · 1.618±0.06 g/cm3(Predicted)
굴절률: 1.487 to · 1.4870 to 1.4910
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): -5.31 · -5.31±0.10(Predicted)
물리적 상태: 액체
색상: 무색~담황색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (20%)

안전 데이터

HS 번호: 2933399990

화학 및 산업

응용 분야 · 1건

용도2-Chloro-3-nitro-5-(trifluoromethyl)pyridine is a synthetic pyridine analogue with a molecular structure containing an active substitutable gene chlorine atom and nitro and trifluoromethyl groups. It is used as a key intermediate in pharmaceutical synthesis.