2-Chloro-6-(trifluoromethyl)pyridine

HCID 602334CAS 39890-95-4

기본 정보

표준 SMILES: FC(F)(F)c1cccc(Cl)n1
InChIKey: ADVQMCQMDHBTHJ-UHFFFAOYSA-N
분자식: C6H3ClF3N
평균 분자량: 181.54 g/mol
단동위원소 질량: 180.99061144

이름 및 식별자

우선 이름: 2-Chloro-6-(trifluoromethyl)pyridine
IUPAC: 2-chloro-6-(trifluoromethyl)pyridine
영어명: 2-Chloro-6-(trifluoromethyl)pyridine
분자식: C6H3ClF3N
분자량: 181.54

이름 및 동의어

2-Chloro-6-(trifluoromethyl)pyridine39890-95-4DTXSID40345169ADVQMCQMDHBTHJ-UHFFFAOYSA-RefChem:469592DTXCID40296243624-440-3InChI=1/C6H3ClF3N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H2-Chloro-6-trifluoromethylpyridineMFCD000422262-Chloro-6-trifluoromethyl-pyridine2-chloro-6-(trifluoromethyl)-pyridine

이름 더 보기

FINE ORGANIC COMPOUNDoro-6-(trifLPYRIDINE DERIVATBUTTPARK 27\08-82Chloro-6-(trifluoroMethyl)pyr2-Chloro-5-trifluoromethylpyri2-CHLORO-6-TRIFLUOROMETHYLPRIDINE

AB01904AC-9466C1986EN300-501482-chloro-6-trifluoromethyl pyridinepyridine, 2-chloro-6-(trifluoromethyl)-6-Chloro-2-(trifluoromethyl)pyridineA6657

데이터베이스 식별자

CAS: 39890-95-4
PubChem CID: 602334
DTXSID: DTXSID40345169
EC Number: 624-440-3
Nikkaji: J1.309.346F

물성

구조 계산 물성

XLogP: 2.7
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: 33 °C · 33 °C
끓는 점: 60 · 60-62°C 8mm
밀도: 1.416 · 1.416±0.06 g/cm3(Predicted)
인화점: 78 °C · 78°C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
수용성: 물에 불용성
물리적 상태: powder to lump
산도 계수 (pKa): -4.3 · -4.30±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 4308910 · 4308910
InChI: InChI=1S/C6H3ClF3N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
InChIKey: ADVQMCQMDHBTHJ-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C(F)(F)F)=CC=C1

화학적 성질

Colorless to off-white liquid (or White to off-white crystal)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (83.3%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (83.3%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29333990
risk_code: 25-20/21/22-36/37/38-36
hazard_code: T;Xn,Xi,Xn,T
safety_code: 26-36/37/39-45-36/37-9-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials