디플르오르벤젠(1,3-)

1,3-Difluorobenzene

HCID 9741CAS 372-18-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Fc1cccc(F)c1
InChIKey: UEMGWPRHOOEKTA-UHFFFAOYSA-N
분자식: C6H4F2
평균 분자량: 114.09 g/mol
단동위원소 질량: 114.02810657

개요

1,3-difluorobenzene is a difluorobenzene carrying fluoro groups at positions 1 and 3.

이름 및 식별자

우선 이름: 1,3-Difluorobenzene
IUPAC: 1,3-difluorobenzene
현지명: 디플르오르벤젠(1,3-)
영어명: 1,3-Difluorobenzene
분자식: C6H4F2
분자량: 114.09

이름 및 동의어

1,3-DIFLUOROBENZENE372-18-9m-DifluorobenzeneBenzene, m-difluoro-VO3C26WOC2NSC-10285CHEBI:38584DTXSID50190682RefChem:72668DTXCID90113173206-746-5Benzene, 1,3-difluoro-

이름 더 보기

1,3-다이플루오로벤젠디플르오르벤젠(1,3-)메타-이플루오로벤젠1,3-DFB1,3-DifLDIFLOUROBENZENEm-difluoro-benzenm-Difluro Benzene3-DifluoroBenzene1?-Difluorobenzene1,3-DIFLUOROBENZEN

2,4-difluorobenzenemeta-Difluorobenzene1,3-DifluorbenzolVoriconazole Impurity 39MFCD00000327EINECS 206-746-5NSC 10285UNII-VO3C26WOC2

데이터베이스 식별자

CAS: 372-18-9
PubChem CID: 9741
DTXSID: DTXSID50190682
ChEBI: CHEBI:38584
UNII: VO3C26WOC2
EC Number: 206-746-5
Nikkaji: J43.475B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 64.9

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

물리화학적 성질

녹는점: -59 °C · -59 °C
끓는 점: 83 °C · 83 °C
밀도: 1.163 g/mL · 1.163 g/mL at 25 °C(lit.)
증기압: 11.034 · 11.034-19.924kPa at 20-38.2℃
굴절률: 20 · n20/D 1.438(lit.)
인화점: 36 °F · 36 °F
저장 조건: Flammables area
용해도: 1.1 g/L · 1.1g/L
물리적 상태: 액체
Specific Gravity: 1.163 · 1.163
색상: 무색~황색으로 투명함
수용성: 불용성
비열: 1.39 J/ · Cp(liquid): 1.39 J/(g·K), at 25℃
BRN: 1904537 · 1904537
Henry's Law Constant: 3.6 · 3.6×10-3 mol/(m3Pa) at 25℃, Gharagheizi et al. (2012)
Dielectric constant: 5.24 · 5.2400000000000002
InChI: 1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey: UEMGWPRHOOEKTA-UHFFFAOYSA-N
SMILES: Fc1cccc(F)c1
LogP: 2.21 · 2.21-2.52 at 25℃ and pH6.5
NIST: 1 · Benzene, 1,3-difluoro-(372-18-9)

화학적 성질

CLEAR COLORLESS TO YELLOWISH LIQUID

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, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzene, 1,3-difluoro-

Status: Active Update: 21-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27443

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

안전 데이터

wgk: 1
rtecs: CZ5652000
ridadr: UN 1993 3/PG 2
HS 번호: 29036990
risk_code: 11-20-2017/11/20
hazard_code: F,Xn
safety_code: 7-16-29-33-7/9
포장분류: II
위험 등급: 3
위험 참고 사항: Highly Flammable
Hazard Classifications: Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

응용 분야

용도It is used in the laser induced fluorencence matrix study of 1,3-difluorobenzene radical cation. It is also used synthesis of 1,2,3-triazole containing fluconazole analogues.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

聊城信立新材料有限公司18963527911 18006357927 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

추가 설명

정의ChEBI: A difluorobenzene carrying fluoro groups at positions 1 and 3.

연결된 노트

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