2,2- 디플루오로에탄 -1- 아민

2,2-Difluoroethanamine

HCID 136274CAS 430-67-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCC(F)F
InChIKey: OVRWUZYZECPJOB-UHFFFAOYSA-N
분자식: C2H5F2N
평균 분자량: 81.06 g/mol
단동위원소 질량: 81.0390056

이름 및 식별자

우선 이름: 2,2-Difluoroethanamine
IUPAC: 2,2-difluoroethanamine
현지명: 2,2- 디플루오로에탄 -1- 아민
영어명: 2,2-Difluoroethylamine
분자식: C2H5F2N
분자량: 81.06

이름 및 동의어

2,2-difluoroethanamineEthanamine, 2,2-difluoro-RefChem:441152671-709-62,2-Difluoroethylamine430-67-12,2-difluoroethan-1-amineEthylamine, 2,2-difluoro-MFCD007981372,2-difluoro-ethylamineCF2HCH2NH22,2-difluoroethane-1-amine

이름 더 보기

2,2-디플루오로에탄-1-아민uoroethyLAKOS B0285612,2-DifluoroamineART-CHEM-BB B028561TIMTEC-BB SBB0098312,3-Difluoroethylamine

C2H5F2NdifluoroethylamineEthanamine,2,2-difluoro- (9CI)2,2-difluorethylamine2,2,-difluorethylamine2,2-difluorethyl amineLR6CDA8ZPD2,2-difluoro-ethanamine

데이터베이스 식별자

CAS: 430-67-1
PubChem CID: 136274
DTXSID: DTXSID40195621
ChEMBL: CHEMBL1162281
UNII: LR6CDA8ZPD
EC Number: 671-709-6
Nikkaji: J2.514.066D

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 21.6

실험 및 물리화학적 성질

SpringerMaterials PropertiesCoriolis coupling

Dissociation Constants7.3

물리화학적 성질

끓는 점: 67.5 · 67.5-68.5
밀도: 1 · 1,15 g/cm3
증기압: 14 · 14-56kPa at 20-50℃
굴절률: 1.341 · 1.3410-1.3450
산도 계수 (pKa): 7.09 · 7.09±0.30(Predicted)
물리적 상태: 투명한 액체
색상: 무색~황색
InChI: InChI=1S/C2H5F2N/c3-2(4)1-5/h2H,1,5H2
InChIKey: OVRWUZYZECPJOB-UHFFFAOYSA-N
SMILES: C(N)C(F)F

화학적 성질

Liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (52.6%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 76 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 08-12-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/5753

Hazard Classes and CategoriesMet. Corr. 1 (52.6%)

안전 데이터

wgk: WGK 3
ridadr: 2735
HS 번호: 29211990
risk_code: 34-36/37
hazard_code: C,Xi
safety_code: 26-36/37/39-24/25
포장분류: II
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Met. Corr. 1STOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도2,2-Difluoroethylamine (DFEA) is an ESI-compatible buffering reagent whose conjugate acid has a pKa of 7.2, providing buffering capacity at physiological pH[1]. 2,2-Difluoroethylamine serves as a nucleophile in Ni-catalyzed C–N cross-couplings with aryl electrophiles, including N-arylation of fluoroalkylamines and competition studies against other heteroatom-containing nucleophiles[2].