2,2-디플루오로사이클로프로필메탄올

(2,2-Difluorocyclopropyl)methanol

HCID 2761401

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 509072-57-5
표준 SMILES: OCC1CC1(F)F
InChIKey: XOLSMTBBIZDHSG-UHFFFAOYSA-N
분자식: C4H6F2O
평균 분자량: 108.09 g/mol
단동위원소 질량: 108.03867125

이름 및 식별자

우선 이름: (2,2-Difluorocyclopropyl)methanol
IUPAC: (2,2-difluorocyclopropyl)methanol
현지명: 2,2-디플루오로사이클로프로필메탄올
영어명: 2,2-DIFLUOROCYCLOPROPYLMETHANOL
분자식: C4H6F2O
분자량: 108.09

이름 및 동의어

(2,2-difluorocyclopropyl)methanol509072-57-5DTXSID20375747RefChem:205360DTXCID80326775680-732-02,2-Difluorocyclopropylmethanol2,2-difluorocyclopropanemethanolMFCD06797748Cyclopropanemethanol, 2,2-difluoro-C4H6F2OSCHEMBL21904

이름 더 보기

2,2-디플루오로사이클로프로필메탄올CAS:509072-57-5(2,2-Difluorocyclopropyl)2,2-Difluorocyclopropanemethan2,2-Difluorocyclopropylcarbinol2,2-Difluorocyclopropanemethanol,97%2,2-Difluorocyclopropanemethanol, 97%(2,2-Difluorocyclopropyl)-Methanol, 97+%

2,2-Difluorocyclopropyl methanol2,2-DiflSCHEMBL21903(2,2-difluorocyclopropyl)-methanol(2,2-difluoro-cyclopropyl)-methanolAKOS005254700CS-W000392PB42945

데이터베이스 식별자

CAS: 509072-57-5
PubChem CID: 2761401
DTXSID: DTXSID20375747
EC Number: 680-732-0

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 81.8

물리화학적 성질

끓는 점: 129 °C · 129°C
밀도: 1.27 g/ml · 1.27g/ml
저장 조건: Store at Room Tem.
산도 계수 (pKa): 15.1 · 15.10±0.10(Predicted)
물리적 상태: 액체
색상: 투명한
InChI: InChI=1S/C4H6F2O/c5-4(6)1-3(4)2-7/h3,7H,1-2H2
InChIKey: XOLSMTBBIZDHSG-UHFFFAOYSA-N
SMILES: C1(CO)CC1(F)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

ridadr: UN1987
HS 번호: 2906190090
hazard_code: Xi
위험 등급: 3

화학 및 산업

응용 분야 · 1건

용도2,2-Difluorocyclopropanemethanol is used as an intermediate in the preparation of (2,2-difluorocyclopropyl)methylamine. It is also used as a reagent in the synthesis of pyrrolopyridine derivatives, which finds application as an antiviral agent.