2-(트리플루오로메틸)신남산

3-(2-(Trifluoromethyl)phenyl)-2-propenoic acid

HCID 74939

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2062-25-1
표준 SMILES: O=C(O)C=Cc1ccccc1C(F)(F)F
InChIKey: AMVYAIXPAGBXOM-UHFFFAOYSA-N
분자식: C10H7F3O2
평균 분자량: 216.16 g/mol
단동위원소 질량: 216.03981412

이름 및 식별자

우선 이름: 3-(2-(Trifluoromethyl)phenyl)-2-propenoic acid
IUPAC: 3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
현지명: 2-(트리플루오로메틸)신남산
영어명: 2-(Trifluoromethyl)cinnamic acid
분자식: C10H7F3O2
분자량: 216.16

이름 및 동의어

3-[2-(Trifluoromethyl)phenyl]-2-propenoic acid3-(2-(Trifluoromethyl)phenyl)-2-propenoic acidRefChem:4905743-[2-(trifluoromethyl)phenyl]prop-2-enoic acid(E)-2-(Trifluoromethyl)Cinnamic Acid3-[2-(trifluoromethyl)phenyl]acrylic acidMFCD000043813-(2-(trifluoromethyl)phenyl)acrylic acidtrans-2-(Trifluoromethyl)cinnamic acidSCHEMBL82267SCHEMBL1510319SCHEMBL29365331

이름 더 보기

2-(트리플루오로메틸)신남산TIMTEC-BB SBB000554RARECHEM AL BK 0046TrifluoroMethyl)cinnaMic ac2-(Trifluoromethyl)ciamic acid2-(Trifluoromethyl)cinmic acid2-(Trifluoromethyl)Cinamic Acid2-(Trifluromethyl)cinnamic Acid(E)-2-(trifluoromethyl)cinnamicaci2-(Trifluoromethyl)cinnamic acid,99%2-(Trifluoromethyl)-trans-cinnamic acid

DTXSID908709312-(Trifluoromethyl) cinnamic acid(2E)-3-[2-(Trifluoromethyl)phenyl]prop-2-enoic acid, (E)-3-[2-(Trifluoromethyl)phenyl]acrylic acidortho-(trifluoromethyl)cinnamic acidAKOS025243199SY0496343-(2-trifluoromethyl-phenyl)-acrylic acidDB-045309

데이터베이스 식별자

CAS: 2062-25-1
PubChem CID: 74939
DTXSID: DTXSID90870931

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 258

물리화학적 성질

녹는점: 205 · 205-207 °C(lit.)
끓는 점: 276.9 · 276.9±35.0 °C(Predicted)
밀도: 1.363 · 1.363±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 4.22 · 4.22±0.10(Predicted)
BRN: 2617007 · 2617007
InChI: 1S/C10H7F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)/b6-5+
InChIKey: AMVYAIXPAGBXOM-AATRIKPKSA-N
SMILES: OC(=O)\C=C\c1ccccc1C(F)(F)F

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 2916.39.7900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명Ionization constant and UV-spectra of 2-(trifluoromethyl)cinnamic acid has been studied.

공급사102 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

怀化宝华生物科技有限公司0519-82698292 · [email protected]

추가 설명

정의ChEBI: A member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the ortho-position.