5-이소티오시아나토-3-(트리플루오로메틸)피콜리노니트릴

5-Isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile

HCID 25019980

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 951753-87-0
표준 SMILES: N#Cc1ncc(N=C=S)cc1C(F)(F)F
InChIKey: NQNLQGJLAVDALO-UHFFFAOYSA-N
분자식: C8H2F3N3S
평균 분자량: 229.18 g/mol
단동위원소 질량: 228.99215274

이름 및 식별자

우선 이름: 5-Isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile
IUPAC: 5-isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrile
현지명: 5-이소티오시아나토-3-(트리플루오로메틸)피콜리노니트릴
영어명: 5-isothiocyanato-3-(trifluoromethyl)picolinonitrile
분자식: C8H2F3N3S
분자량: 229.18

이름 및 동의어

951753-87-05-isothiocyanato-3-(trifluoromethyl)pyridine-2-carbonitrileRefChem:536490837-528-35-isothiocyanato-3-(trifluoromethyl)picolinonitrileMFCD183827425-Isothiocyanato-3-(trifluoromethyl)-picolinonitrileSCHEMBL9088402-Cyano-5-(isothiocyanato)-3-(trifluoromethyl)pyridine5-Isothiocyanato-3-(trifluoromethyl)-2-pyridinecarbonitrileApalutamide Impurity 115C8H2F3N3S

이름 더 보기

5-이소티오시아나토-3-(트리플루오로메틸)피콜리노니트릴951735-87-0Apalutamide Inter.Apalutamide Impurity 985-Isothiocyanato-3-(trifluoromethyl)2-cyanopyridine5-Isothiocyanato-2-cyano-3-(trifluoromethyl)pyridine5-isothiocyanato-3- (trifluoromethyl) pyridine-2-cyano2-Pyridinecarbonitrile, 5-isothiocyanato-3-(trifluoromethyl)-

9SY95P8P87AT1780AT17809AC-31087AS-84072SY129080DB-203271F567690

데이터베이스 식별자

CAS: 951753-87-0
PubChem CID: 25019980
UNII: 9SY95P8P87
EC Number: 837-528-3

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 81.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 326

물리화학적 성질

끓는 점: 367.7 · 367.7±42.0 °C(Predicted)
밀도: 1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): -5.54 · -5.54±0.21(Predicted)
InChI: InChI=1S/C8H2F3N3S/c9-8(10,11)6-1-5(14-4-15)3-13-7(6)2-12/h1,3H
InChIKey: NQNLQGJLAVDALO-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(N=C=S)C=C1C(F)(F)F

화학적 성질

Light yellow to brown powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (50%)

안전 데이터

신호 어: Danger
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야

용도5-isothiocyanato-3-(trifluoromethyl)picolinonitrile is a useful research chemical compound.

상·하류 제품 정보

상류 원료

5-아미노-3-(트리플루오로메틸)피콜리노니트릴 2-HYDROXY-5-NITRO-3-(트리플루오로메틸)피리딘 3-Trifluoromethylpyridine 2-Hydroxy-3-trifluoromethylpyridine 3-(trifluoromethyl)pyridine 1-oxide 5-니트로-3-트리플루오로메틸피리딘-2-카르보니트릴 6-Chloro-N-(4-methoxybenzyl)-5-(trifluoromethyl)pyridin-3-amine 5-((4-Methoxybenzyl)amino)-3-(trifluoromethyl)picolinonitrile 2-시아노-3-트리플루오로메틸피리딘 5-요오도-3-(트리플루오로메틸)-2(1H)-피리디논 2-CHLORO-5-IODO-3-(트리플루오로메틸)-피리디논 티오포스겐

하류 제품

Apalutamide

공급사100 곳

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

화합물 노트

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