CAS 436799-32-5 5-Bromo-2-(trifluoromethyl)pyridine (HCID 2761197)

기본 정보

CAS: 436799-32-5
표준 SMILES: FC(F)(F)c1ccc(Br)cn1
InChIKey: RPFAUCIXZGMCFN-UHFFFAOYSA-N
분자식: C6H3BrF3N
평균 분자량: 225.99 g/mol
단동위원소 질량: 224.94009586

이름 및 식별자

우선 이름: 5-Bromo-2-(trifluoromethyl)pyridine
IUPAC: 5-bromo-2-(trifluoromethyl)pyridine
영어명: 2-Trifluoromethyl-5-bromopyridine
분자식: C6H3BrF3N
분자량: 225.99

이름 및 동의어

5-Bromo-2-(trifluoromethyl)pyridine436799-32-5DTXSID70375616RefChem:301585DTXCID30326644629-029-22-Trifluoromethyl-5-bromopyridine5-Bromo-2-trifluoromethylpyridineMFCD06657686C6H3BrF3N5-Bromo-2-trifluoromethyl-pyridine3-bromo-6-trifluoromethylpyridine

이름 더 보기

C6H3BrF3N=M 225.99TRIFLUOROMETHYL-5-BROMO-2-PYRIDINE3-Bromo-6-(trifluoromethyl) pyridine5-Bromo-2-(trifluoromethyl)pyridine97%5-Bromo-2-(trifluoromethyl)pyridine >5-Bromo-2-(trifluoromethyl)pyridine 97%

5-bromo-2(trifluoromethyl)pyridineCS-D0796AB25626Pyridine, 5-bromo-2-(trifluoromethyl)-HY-66030SY001007trifluoromethyl-5-bromopyridine5-Bromo-2-(trifluoromethyl)

데이터베이스 식별자

CAS: 436799-32-5
PubChem CID: 2761197
DTXSID: DTXSID70375616
EC Number: 629-029-2
Nikkaji: J1.688.880J

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 44 · 44-46 °C
끓는 점: 68 · 68-70°C 10mm
밀도: 1.707 · 1.707±0.06 g/cm3(Predicted)
인화점: 174 °F · 174 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): -1.8 · -1.80±0.22(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C6H3BrF3N/c7-4-1-2-5(11-3-4)6(8,9)10/h1-3H
InChIKey: RPFAUCIXZGMCFN-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)=NC=C(Br)C=C1

화학적 성질

white crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (89.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (89.8%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 29333990
risk_code: 25-36/37/38
hazard_code: T,Xi
safety_code: 26-36/37/39-37-45
포장분류: Ⅲ
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects