4-(트리플루오로메틸)벤즈하이드라자이드

4-(Trifluoromethyl)benzohydrazide

HCID 520662CAS 339-59-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NNC(=O)c1ccc(C(F)(F)F)cc1
InChIKey: GKBDXTNCBPZMFX-UHFFFAOYSA-N
분자식: C8H7F3N2O
평균 분자량: 204.15 g/mol
단동위원소 질량: 204.0510475

이름 및 식별자

우선 이름: 4-(Trifluoromethyl)benzohydrazide
IUPAC: 4-(trifluoromethyl)benzohydrazide
현지명: 4-(트리플루오로메틸)벤즈하이드라자이드
영어명: 4-(Trifluoromethyl)benzhydrazide
분자식: C8H7F3N2O
분자량: 204.15

이름 및 동의어

4-(Trifluoromethyl)benzohydrazideBENZOIC ACID, 4-(TRIFLUOROMETHYL)-, HYDRAZIDERefChem:517134608-934-64-(Trifluoromethyl)benzhydrazide339-59-34-(Trifluoromethyl)benzoic acid hydrazide4-TrifluoromethylbenzhydrazideMFCD000517034-Trifluoromethylbenzoic acid hydrazide4-(Trifluoromethyl)-benzoic acid hydrazide4-trifluoromethylbenzohydrazide

이름 더 보기

4-(트리플루오로메틸)벤즈하이드라자이드4-(Trifluoromethyl)benzoylhydrazine4-(TRIFLUOROMETHYL)BENZHYDRAZIDE 98%BUTTPARK 30\AKOS BBS-00001991BUTTPARK 30\01-48TIMTEC-BB SBB001890RSYY（Lifitegrast)-10p-Trifluoromethylbenzoyl hydrazide

1-(trifluoromethyl)benzene-4-carbohydrazide4-(trifluoromethyl)benzene-1-carbohydrazideZL3C5K9QUHSCHEMBL182755SCHEMBL2743436SCHEMBL57592584-trifluoromethylbenzoylhydrazineCHEMBL4212679

데이터베이스 식별자

CAS: 339-59-3
PubChem CID: 520662
DTXSID: DTXSID30334421
ChEMBL: CHEMBL4212679
UNII: ZL3C5K9QUH
EC Number: 608-934-6
Nikkaji: J265.585C

물성

구조 계산 물성

XLogP: 1.2
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: 209

물리화학적 성질

녹는점: 115 · 115-119 °C(lit.)
밀도: 1.356 · 1.356±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 11.9 · 11.90±0.10(Predicted)
색상: 회백색
BRN: 1968848 · 1968848
InChI: 1S/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(14)13-12/h1-4H,12H2,(H,13,14)
InChIKey: GKBDXTNCBPZMFX-UHFFFAOYSA-N
SMILES: NNC(=O)c1ccc(cc1)C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.