3-(트리플루오로메틸)벤즈아미드

m-(Trifluoromethyl)benzamide

HCID 74535CAS 1801-10-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=O)c1cccc(C(F)(F)F)c1
InChIKey: XBGXGCOLWCMVOI-UHFFFAOYSA-N
분자식: C8H6F3NO
평균 분자량: 189.13 g/mol
단동위원소 질량: 189.04014847

이름 및 식별자

우선 이름: m-(Trifluoromethyl)benzamide
IUPAC: 3-(trifluoromethyl)benzamide
현지명: 3-(트리플루오로메틸)벤즈아미드
영어명: 3-(Trifluoromethyl)benzamide
분자식: C8H6F3NO
분자량: 189.13

이름 및 동의어

3-(Trifluoromethyl)benzamide1801-10-1m-(Trifluoromethyl)benzamideEINECS 217-289-6DTXSID40170913RefChem:800334DTXCID7093404217-289-6Benzamide, 3-(trifluoromethyl)-3-TrifluoromethylbenzamideMFCD000148023-trifluoromethyl-benzamide

이름 더 보기

3-(트리플루오로메틸)벤즈아미드m-(트라이플루오로메틸)벤자마이드3-(트리플루오로메틸)벤자미드TIMTEC-BB SBB002332à,à,à-trifluoro-m-toluamideN-(trifluoromethyl)benzamideN-(3-Trifluoromethyl)benzamide3-(Trifluoromethyl)benzamide98%3-(Trifluoromethyl)benzamide 98%

m-TrifluoromethylbenzamideSCHEMBL171684STK794682Z33546480alpha,alpha,alpha-Trifluoro-m-toluamideFT-06139213-(trifluoromethyl)-benzamideSCHEMBL350153

데이터베이스 식별자

CAS: 1801-10-1
PubChem CID: 74535
DTXSID: DTXSID40170913
EC Number: 217-289-6
Nikkaji: J199.624J

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 202

물리화학적 성질

녹는점: 124 · 124-127 °C (lit.)
끓는 점: 241.3 · 241.3±40.0℃ (760 Torr)
밀도: 1.335 · 1.335±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 99.7 · 99.7±27.3℃
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 15.31 · 15.31±0.50(Predicted)
BRN: 1955599 · 1955599
InChI: 1S/C8H6F3NO/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)
InChIKey: XBGXGCOLWCMVOI-UHFFFAOYSA-N
SMILES: NC(=O)c1cccc(c1)C(F)(F)F

화학적 성질

White to light yellow crystal powde

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

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2924297099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

일반 설명3-(Trifluoromethyl)benzamide can be prepared from 1-bromo-3-trifluoromethylbenzene via palladium-catalyzed aminocarbonylation with formamide. It forms the core moiety of N-[(substituted 1H-imidazol-1-yl)propyl]benzamides, with potential as antihypertensive agents.