3-(Trifluoromethyl)benzoic acid hydrazide

HCID 2777417CAS 22227-25-4

기본 정보

표준 SMILES: NNC(=O)c1cccc(C(F)(F)F)c1
InChIKey: HGUSYNBASYGAMC-UHFFFAOYSA-N
분자식: C8H7F3N2O
평균 분자량: 204.15 g/mol
단동위원소 질량: 204.0510475

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)benzoic acid hydrazide
IUPAC: 3-(trifluoromethyl)benzohydrazide
영어명: 3-(Trifluoromethyl)benzoic acid hydrazide
분자식: C8H7F3N2O
분자량: 204.15

이름 및 동의어

3-(Trifluoromethyl)benzoic acid hydrazideRefChem:496376630-265-33-(trifluoromethyl)benzohydrazide22227-25-43-(trifluoromethyl)benzhydrazideMFCD002214763-(trifluoromethyl)benzene-1-carbohydrazide1-(trifluoromethyl)benzene-3-carbohydrazide9U5TDW2YHRBenzoic acid, 3-(trifluoromethyl)-, hydrazideSCHEMBL1127884

이름 더 보기

BUTTPARK 30\01-473-(Trifluoromethyl)benzoicacidhydrazide95%3-(Triflouromethyl)benzoic acid hydrazide3-(Trifluoromethyl)benzoic acid hydrazide 95%3-(Trifluoromethyl)benzene-1-carbohydrazide, 95+%

SCHEMBL5759254SCHEMBL29646460DTXSID80380514SBB0177643-trifluoromethylbenzoic acid hydrazideAKOS000150267AS-8768SB85913

데이터베이스 식별자

CAS: 22227-25-4
PubChem CID: 2777417
DTXSID: DTXSID80380514
UNII: 9U5TDW2YHR
EC Number: 630-265-3

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 217

물리화학적 성질

녹는점: 111 °C · 111 °C
밀도: 1.356 · 1.356±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
물리적 상태: 고체
산도 계수 (pKa): 11.93 · 11.93±0.10(Predicted)
색상: 회백색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.