3,5-BIS(트리플루오로메틸)아세트아닐리드

3',5'-Bis(trifluoromethyl)acetanilide

HCID 723600CAS 16143-84-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: XMKZELXFBZUGEY-UHFFFAOYSA-N
분자식: C10H7F6NO
평균 분자량: 271.16 g/mol
단동위원소 질량: 271.04318282

이름 및 식별자

우선 이름: 3',5'-Bis(trifluoromethyl)acetanilide
IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]acetamide
현지명: 3,5-BIS(트리플루오로메틸)아세트아닐리드
영어명: 3,5-Bis(trifluoromethyl)acetanilide
분자식: C10H7F6NO
분자량: 271.16

이름 및 동의어

3',5'-Bis(trifluoromethyl)acetanilideRefChem:484544664-946-116143-84-3n-[3,5-bis(trifluoromethyl)phenyl]acetamide3,5-Bis(Trifluoromethyl)AcetanilideN-(3,5-Bis(trifluoromethyl)phenyl)acetamideMFCD00089454Maybridge1_000017CBMicro_045192GNF-Pf-1581DTXSID90352343

이름 더 보기

3,5-BIS(트리플루오로메틸)아세트아닐리드3,5-DI(TRIFLUOROMETHYL)ACETANILIDE3,5-Ditrifluoromethylphenylacetamide3',5'-Bis(trifluoromethyl)acetanilide97%3',5'-Bis(trifluoromethyl)acetanilide 97%N1-[3,5-DI(TRIFLUOROMETHYL)PHENYL]ACETAMIDE

Acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-Cl-4459AKOS003587357BIM-0045353.P0011-acetamido-3,5-bis(trifluoromethyl)benzeneAB00102507-01MixCom1_000017CHEMBL602999

데이터베이스 식별자

CAS: 16143-84-3
PubChem CID: 723600
DTXSID: DTXSID90352343
ChEMBL: CHEMBL602999
EC Number: 664-946-1
Nikkaji: J1.564.883J

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 288

물리화학적 성질

녹는점: 160 °C · 160 °C
끓는 점: 262.6 · 262.6±40.0 °C(Predicted)
밀도: 1.43 · 1.430±0.06 g/cm3(Predicted)
산도 계수 (pKa): 14.03 · 14.03±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 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.