디플로로툴루엔(2,4-)

2,4-Difluoro-1-methylbenzene

HCID 67983CAS 452-76-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(F)cc1F
InChIKey: MPXDAIBTYWGBSL-UHFFFAOYSA-N
분자식: C7H6F2
평균 분자량: 128.12 g/mol
단동위원소 질량: 128.04375663

개요

structure in first source

이름 및 식별자

우선 이름: 2,4-Difluoro-1-methylbenzene
IUPAC: 2,4-difluoro-1-methylbenzene
현지명: 디플로로툴루엔(2,4-)
영어명: 2,4-Difluorotoluene
분자식: C7H6F2
분자량: 128.12

이름 및 동의어

2,4-Difluorotoluene452-76-62,4-Difluoro-1-methylbenzeneDifluorotolueneRMK2YU8CT4NSC-3465DTXSID701964292F-tolueneRefChem:82431DTXCID30118920207-211-9Benzene, 2,4-difluoro-1-methyl-

이름 더 보기

2,4-다이플루오로톨루엔디플로로툴루엔(2,4-)2,4-Difluorobenzyl2,4-DIFLUOROTOLUNE2,4-DIFLUOROTOLUINE2,4-Difluorotoluene99%2,4-Difluorotoluene 99%2,4-Difluorotoluene, 98+%2.4-Difluoro methyl benzene1-Methyl-2,4-difluorobenzene

2,4-difluoro-tolueneMFCD000003322,4-DIFLUORO-1-METHYL-BENZENEEINECS 207-211-9UNII-RMK2YU8CT4SCHEMBL60954SCHEMBL96362SCHEMBL99060

데이터베이스 식별자

CAS: 452-76-6
PubChem CID: 67983
DTXSID: DTXSID70196429
UNII: RMK2YU8CT4
EC Number: 207-211-9
Nikkaji: J150.023F

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 92.9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesHindering potential

Physical DescriptionColorless liquid with an aromatic odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -35 °C · -35 °C
끓는 점: 113 · 113-117 °C (lit.)
밀도: 1.12 g/mL · 1.12 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.449(lit.)
인화점: 59 °F · 59 °F
저장 조건: 2 · Sealed in dry,2-8°C
물리적 상태: 액체
Specific Gravity: 1.12 · 1.120
색상: 무색의
BRN: 1931681 · 1931681
InChI: InChI=1S/C7H6F2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChIKey: MPXDAIBTYWGBSL-UHFFFAOYSA-N
SMILES: C1(C)=CC=C(F)C=C1F
NIST: 2 · 2,4-Difluorotoluene(452-76-6)

화학적 성질

colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationBenzene, 2,4-difluoro-1-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryHighly flammable; A skin and strong eye irritant; [Alfa Aesar MSDS] See Toluene.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 2
HS 번호: 29039990
risk_code: 11
hazard_code: F,F+
safety_code: 16-29-33
포장분류: II
위험 등급: 3
위험 참고 사항: Flammable
Hazard Classifications: Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도2,4-Difluorotoluene was used in the synthesis of new hydrophobic isosteres of pyrimidines and purine nucleosides.

일반 설명2,4-Difluorotoluene was synthesized as a nucleotide analog and was incorporated into DNA and undergoes replication by DNA polymerase enzymes.