2,3-디메틸푸란

2,3-Dimethylfuran

HCID 34337CAS 14920-89-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccoc1C
InChIKey: FJSKXQVRKZTKSI-UHFFFAOYSA-N
분자식: C6H8O
평균 분자량: 96.13 g/mol
단동위원소 질량: 96.05751488

이름 및 식별자

우선 이름: 2,3-Dimethylfuran
IUPAC: 2,3-dimethylfuran
현지명: 2,3-디메틸푸란
영어명: 2,3-Dimethylfuran
분자식: C6H8O
분자량: 96.13

이름 및 동의어

2,3-Dimethylfuran14920-89-9DTXSID301027759RefChem:1059481DTXCID9037878626-651-6Furan, dimethyl-Dimethyl furanFuran, 2,3-dimethyl-DIMETHYLFURAN2,3-Dimethyl-furan28802-49-5

이름 더 보기

2,3-디메틸푸란Furagin Impurity 202,3-Dimethylfuran>2,3-Dimethylfuran 99%2,3-Dimethylfuran 99%2,3-Dimethylfuran,99%2,3-Dimethylfuran, GC 99%2,3-DiMethylfuran, 99% 1GR

MFCD00153893Dimethyl furaneEINECS 249-235-22,3-Dimethylfuran, 99%SCHEMBL115390SCHEMBL466372CHEMBL108232orb3132290

데이터베이스 식별자

CAS: 14920-89-9、28802-49-5
PubChem CID: 34337
DTXSID: DTXSID301027759
ChEMBL: CHEMBL108232
EC Number: 249-235-2、626-651-6
Nikkaji: J498.240A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 13.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 61.2

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: -62.8 °C · -62.8°C (estimate)
끓는 점: 42 °C/115 · 42 °C/115 mmHg (lit.)
밀도: 0.91 g/mL · 0.91 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.443(lit.)
인화점: 30 °F · 30 °F
저장 조건: Flammables area
물리적 상태: 투명한 액체
색상: Colorless to Yellow to Green
Specific Gravity: 0.919 · 0.919
수용성: 물에 불용성.
BRN: 104572 · 104572
InChI: 1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3
InChIKey: FJSKXQVRKZTKSI-UHFFFAOYSA-N
SMILES: Cc1ccoc1C

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

유해성 정보

Hazard Classes and Categories · 2건

Flam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 2
HS 번호: 29321900
risk_code: 11-20/21/22
hazard_code: F,Xn
safety_code: 16-36
포장분류: II
위험 등급: 3
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도2,3-Dimethylfuran may be used in the synthesis of 2,9-dioxabicyclo[3.3.1]nonane. Ireland Alcohol was synthesized in from 2,3-dimethylfuran.

일반 설명2,3-Dimethylfuran is a methyl substituted furan. The gas-phase rate constant determined by the relative rate method for the reaction of 2,3-dimethylfuran with NO3 radical was found to be (5.83 ± 0.46)×10-11 and with OH radical was (12.6 ± 0.4)×10-11 (in units of cm3 molecule-1 s-1). It is reported to be formed by the cyclization of (Z)-3-methylpent-2-en-4-yn-1-ol by various methods.