2,2-디플루오로시클로프로판카르복실산

2,2-Difluorocyclopropane-1-carboxylic acid

HCID 2782823

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 107873-03-0
표준 SMILES: O=C(O)C1CC1(F)F
InChIKey: KMLMOVWSQPHQME-UHFFFAOYSA-N
분자식: C4H4F2O2
평균 분자량: 122.07 g/mol
단동위원소 질량: 122.01793581

이름 및 식별자

우선 이름: 2,2-Difluorocyclopropane-1-carboxylic acid
IUPAC: 2,2-difluorocyclopropane-1-carboxylic acid
현지명: 2,2-디플루오로시클로프로판카르복실산
영어명: 2,2-Difluorocyclopropanecarboxylic acid
분자식: C4H4F2O2
분자량: 122.07

이름 및 동의어

2,2-difluorocyclopropane-1-carboxylic AcidRefChem:441147679-017-62,2-Difluorocyclopropanecarboxylic acid107873-03-0MFCD041158282,2-difluoro-cyclopropanecarboxylic acid2,2-DifluorocyclopropanecarboxylicacidSCHEMBL301120DTXSID90382322AKOS005254595AB20620

이름 더 보기

2,2-디플루오로시클로프로판카르복실산2-Carboxy-1,1-difluorocyclopropane2-DIFLUOROCYCLOPROPANECARBOXYLIC ACID2,1-difluoro-Cyclopropanecarboxylic acid2,2-Difluoro-cyclopropan-carboxylic acid2,2-Difluorocyclopropanecarboxylic acid 97%2,2-Difluorocyclopropane-1-carboxylic acid 98%

PB485282,2-Difluorocyclopropane carboxylic acidD5977EN300-59738CYCLOPROPANECARBOXYLIC ACID, 2,2-DIFLUORO-AMY3255BCP19593SY099275

데이터베이스 식별자

CAS: 107873-03-0
PubChem CID: 2782823
DTXSID: DTXSID90382322
EC Number: 679-017-6

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 132

물리화학적 성질

녹는점: 60 · 60-65 °C
끓는 점: 70 °C/7 · 70 °C/7 mmHg
밀도: 1.48 · 1.48±0.1 g/cm3(Predicted)
인화점: 70 °C/7mm · 70°C/7mm
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 3.22 · 3.22±0.22(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
수용성: 물에 용해됩니다.
InChI: InChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)
InChIKey: KMLMOVWSQPHQME-UHFFFAOYSA-N
SMILES: C1(C(O)=O)CC1(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: 3265
HS 번호: 2916200090
risk_code: 34
hazard_code: C,Xi
safety_code: 26-36/37/39-45
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

용도2,2-Difluorocyclopropanecarboxylic acid derivative (i.e. 2,2-difluorocyclopropanecarbonyl chloride) is used in Friedel-Crafts reactions with various arenes to prepare aryl 2,2-difluorocyclopropyl ketones.