1-(4-니트로페닐)-5-(트리플루오로메틸)피라졸-4-염화카르보닐

1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride

HCID 2775746

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 175137-36-7
표준 SMILES: O=C(Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F
InChIKey: PDHQPPLHVFKVOQ-UHFFFAOYSA-N
분자식: C11H5ClF3N3O3
평균 분자량: 319.62 g/mol
단동위원소 질량: 318.99715336

이름 및 식별자

우선 이름: 1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
IUPAC: 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
현지명: 1-(4-니트로페닐)-5-(트리플루오로메틸)피라졸-4-염화카르보닐
영어명: 1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
분자식: C11H5ClF3N3O3
분자량: 319.62

이름 및 동의어

175137-36-71-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chlorideDTXSID50379677RefChem:225540DTXCID503307031-(4-nitrophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carbonyl chlorideMFCD001738661-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolecarbonyl chlorideSCHEMBL3056519SBB0013101H-Pyrazole-4-carbonyl chloride, 1-(4-nitrophenyl)-5-(trifluoromethyl)-AKOS015833470

이름 더 보기

1-(4-니트로페닐)-5-(트리플루오로메틸)피라졸-4-염화카르보닐BUTTPARK 99\06-34TIMTEC-BB SBB0013101-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonylchloride97%1-(4-NITROPHENYL)-5-(TRIFLUOROMETHYL) PYRAZOLE-N 4-CARBONYL CHLORIDE1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride 97%1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride , 95%+

PS-10700DB-004035F0084025-(trifluoromethyl)-1-(4-nitrophenyl)-1H-pyrazole-4-carbonyl chloride

데이터베이스 식별자

CAS: 175137-36-7
PubChem CID: 2775746
DTXSID: DTXSID50379677
EC Number: 671-946-5

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 80.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 21
형식 전하: 0
복잡도: 421

물리화학적 성질

녹는점: 77 · 77-79°C
끓는 점: 421.8 · 421.8±45.0 °C(Predicted)
밀도: 1 · 1+-.0.1 g/cm3(Predicted)
산도 계수 (pKa): -8.09 · -8.09±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.