2-(트리플루오로메틸)아크릴산

2-(Trifluoromethyl)acrylic acid

HCID 587694CAS 381-98-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=C(C(=O)O)C(F)(F)F
InChIKey: VLSRKCIBHNJFHA-UHFFFAOYSA-N
분자식: C4H3F3O2
평균 분자량: 140.06 g/mol
단동위원소 질량: 140.00851382

이름 및 식별자

우선 이름: 2-(Trifluoromethyl)acrylic acid
IUPAC: 2-(trifluoromethyl)prop-2-enoic acid
현지명: 2-(트리플루오로메틸)아크릴산
영어명: 2-(Trifluoromethyl)acrylic acid
분자식: C4H3F3O2
분자량: 140.06

이름 및 동의어

2-(Trifluoromethyl)acrylic acid381-98-6DTXSID70343138RefChem:462533DTXCID30294218627-408-72-(Trifluoromethyl)propenoic acid2-(trifluoromethyl)prop-2-enoic acidTFMAAMFCD00042424trifluoromethacrylic acidtrifluoromethylacrylic acid

이름 더 보기

2-(트리플루오로메틸)아크릴산2-(Trifluoα-TrifluoromethylacrylateTrifluoroMethyl)acrylic ac2-(Trifluoromethyl)AcrylicAci-(Trifluoromethyl)acrylic acid2-(trifluoromethyl)-2-propenoate2-(trifluoromethyl)prop-2-enoate

2-Propenoic acid, 2-(trifluoromethyl)-2-trifluoromethylacrylic acidalpha-trifluoromethylacrylic acida-trifluoromethylacrylic acidSCHEMBL203037SCHEMBL8648182-trifluoromethyl-acrylic acid2-trifluoromethylpropenoic acid

데이터베이스 식별자

CAS: 381-98-6
PubChem CID: 587694
DTXSID: DTXSID70343138
EC Number: 627-408-7
Nikkaji: J393.216H

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 146

물리화학적 성질

녹는점: 51 · 51-52 °C (lit.)
끓는 점: 86 °C · 86 °C
밀도: 1.3949 · 1.3949 (estimate)
인화점: 179 °F · 179 °F
저장 조건: 2 · 2-8°C
물리적 상태: 울퉁불퉁한 고체
산도 계수 (pKa): 2.07 · 2.07±0.11(Predicted)
색상: 연노랑
수용성: 물에 용해됩니다.
InChI: InChI=1S/C4H3F3O2/c1-2(3(8)9)4(5,6)7/h1H2,(H,8,9)
InChIKey: VLSRKCIBHNJFHA-UHFFFAOYSA-N
SMILES: C(O)(=O)C(C(F)(F)F)=C

화학적 성질

LIGHT YELLOW TRANSPARENT CHUNKS

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory.；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.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29161900
risk_code: 34-36/37/38
hazard_code: C,Xi
safety_code: 26-36/37/39-45-37/39
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도2-(Trifluoromethyl)acrylic acid is used as an acidic functional monomer for molecular imprinting of nicotine. And also used in the conventional functional monomer methacrylic acid.