2,4,6-Trifluoropyrimidine

HCID 69677CAS 696-82-2

기본 정보

표준 SMILES: Fc1cc(F)nc(F)n1
InChIKey: NTSYSQNAPGMSIH-UHFFFAOYSA-N
분자식: C4HF3N2
평균 분자량: 134.06 g/mol
단동위원소 질량: 134.00918253

이름 및 식별자

우선 이름: 2,4,6-Trifluoropyrimidine
IUPAC: 2,4,6-trifluoropyrimidine
영어명: 2,4,6-TRIFLUOROPYRIMIDINE
분자식: C4HF3N2
분자량: 134.06

이름 및 동의어

2,4,6-Trifluoropyrimidine696-82-2Pyrimidine, 2,4,6-trifluoro-EINECS 211-801-1DTXSID40219876RefChem:82123DTXCID90142367211-801-1NTSYSQNAPGMSIH-UHFFFAOYSA-NMFCD000397052,4, 6-trifluoropyrimidineSCHEMBL113096

이름 더 보기

2,4,6-TRIFLUOROPYRIMIDEPyriMidine,2,4,6-trifluoro-2,4,6-Trifluoropyrimidine,98%2,4,6-Trifluoropyrimidine 98%2-(2-chloroethyl)benzo[f]isoindole-1,3-dione2,4,6-TRIFLUOROPYRIMIDINE ISO 9001：2015 REACHPyrimidine, 2,4,6-trifluoro- (6CI,7CI,8CI,9CI)

AKOS005259689CS-W011072SB57442AC-26652DS-10783AMY128A9216SCHEMBL5143890

데이터베이스 식별자

CAS: 696-82-2
PubChem CID: 69677
DTXSID: DTXSID40219876
EC Number: 211-801-1
Nikkaji: J206.017E

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 89

물리화학적 성질

끓는 점: 83 °C · 83 °C
밀도: 1.514 · 1.514±0.06 g/cm3(Predicted)
굴절률: 1.405 · 1.405
인화점: 100 °C · >100°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -7.88 · -7.88±0.30(Predicted)
BRN: 607190 · 607190

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 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.