2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile

HCID 2736726CAS 13600-42-5

기본 정보

표준 SMILES: N#Cc1c(C(F)(F)F)cc(Cl)nc1Cl
InChIKey: WRXXBTBGBXYHSG-UHFFFAOYSA-N
분자식: C7HCl2F3N2
평균 분자량: 240.99 g/mol
단동위원소 질량: 239.94688805

이름 및 식별자

우선 이름: 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile
IUPAC: 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile
영어명: 2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile
분자식: C7HCl2F3N2
분자량: 241

이름 및 동의어

2,6-dichloro-4-(trifluoromethyl)nicotinonitrileRefChem:445404670-849-513600-42-53-Cyano-2,6-dichloro-4-(trifluoromethyl)pyridine2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrileMFCD000849773-Pyridinecarbonitrile, 2,6-dichloro-4-(trifluoromethyl)-C7HCl2F3N22,6-dichloro-4-trifluoromethyl-nicotinonitrile3-cyano-2,6-dichloro-4-trifluoromethylpyridineCS-W002350

이름 더 보기

3-Cyano-2,6-dichloro-4-(trifluoromethyl)pyridine, 2,6-Dichloro-4-(trifluoromethyl)pyridine-3-carbonitrileBUTTPARK 43\57-39IFLAB-BB F2108-00992,6-Dichloro-4-(Trifluoromethy,6-Dichloro-4-(trifluoromethyl)nicotinonitrile3-Cyano-2,6-dichloro-4-(trifluoomethyl)pyridine2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile 98%3-Cyano-2,6-dichloro-4-(trifluoromethyl)pyridine98%

BP-10369SY0258462,6-Dichloro4-trifluoromethyl-nicotinonitrile2,6-DICHLORO-3-CYANO-4-TRIFLUOROMETHYLPYRIDINE3-cyano-2,6-dichloro-4-(trifluoromethyl)-pyridineA2910SCHEMBL16240092,6-dichloro-4-(trifluoromethyl)-3-pyridinecarbonitrile

데이터베이스 식별자

CAS: 13600-42-5
PubChem CID: 2736726
DTXSID: DTXSID50371555
EC Number: 670-849-5

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 259

물리화학적 성질

녹는점: 38 °C · 38 °C
끓는 점: 282.4 · 282.4±35.0 °C(Predicted)
밀도: 1.63 · 1.63±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 크리스탈
산도 계수 (pKa): -6.82 · -6.82±0.10(Predicted)
색상: 무색

화학적 성질

yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (25%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (25%)

안전 데이터

ridadr: 3439
HS 번호: 2933399990
risk_code: 20/21/22-36/37/38
hazard_code: T,Xi,Xn
safety_code: 22-26-36/37/39
위험 등급: TOXIC

화학 및 산업

응용 분야 · 1건

용도3-Cyano-2,6-dichloro-4-trifluoromethylpyridine is used as a reagent in the synthesis of cyano(trifluoromethyl)aminopyridine derivatives which are used as androgen receptor antagonists for stimulating hair growth and reducing sebum production. 3-Cyano-2,6-dichloro-4-trifluoromethylpyridine is also used in the preparation of novel analogs of marine indole alkaloids which are used as potential anticancer agents.