3-Bromo-5-(trifluoromethyl)pyridin-2-amine

HCID 13064155

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 79456-30-7
표준 SMILES: Nc1ncc(C(F)(F)F)cc1Br
InChIKey: KBNACDZKKVMULE-UHFFFAOYSA-N
분자식: C6H4BrF3N2
평균 분자량: 241.01 g/mol
단동위원소 질량: 239.95099489

이름 및 식별자

우선 이름: 3-Bromo-5-(trifluoromethyl)pyridin-2-amine
IUPAC: 3-bromo-5-(trifluoromethyl)pyridin-2-amine
영어명: 2-Amino-3-bromo-5-(trifluoromethyl)-pyridine
분자식: C6H4BrF3N2
분자량: 241.01

이름 및 동의어

79456-30-73-bromo-5-(trifluoromethyl)pyridin-2-amineDTXSID50517012RefChem:277529DTXCID20467818678-735-72-Amino-3-bromo-5-(trifluoromethyl)pyridine2-Amino-3-bromo-5-(trifluoromethyl)-pyridine2-Amino-3-bromo-5-trifluoromethylpyridineMFCD073753823-Bromo-5-trifluoromethyl-pyridin-2-ylamine3-Bromo-5-(trifluoromethyl) pyridine-2-amine

이름 더 보기

2-Amino-3-bromo-5-(trifL2-Amino-3-bromo-5-(trifluorome3-bromo-5-(trifluoromethyl)pyridine-2-amine2-Amino-3-bromo-5-(trifluoromethyl)pyridine,97%2-Amino-3-bromo-5-(trifluoromethyl)pyridine 98+%3-Bromo-5-(trifluoromethyl)pyridin-2-amine, 6-Amino-5-bromo-alpha,alpha,alpha-trifluoro-3-picoline

2-Pyridinamine, 3-bromo-5-(trifluoromethyl)-2-amino-3-bro2-amino-3-bromo-5-trifluoromethyl pyridine3-bromo-5-(trifluoromethyl)-2-pyridylamineSCHEMBL119830SBB070658AKOS005072347AB41836

데이터베이스 식별자

CAS: 79456-30-7
PubChem CID: 13064155
DTXSID: DTXSID50517012
EC Number: 678-735-7

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 161

물리화학적 성질

녹는점: 98 · 98-101℃
끓는 점: 221.7 · 221.7±40.0 °C(Predicted)
밀도: 1.79 · 1.790±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 1.79 · 1.79±0.49(Predicted)
물리적 상태: 고체
색상: 연노랑
InChI: InChI=1S/C6H4BrF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)
InChIKey: KBNACDZKKVMULE-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(C(F)(F)F)C=C1Br

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (82.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 34 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.