디플로로니트로벤젠(2,5-)

2,5-Difluoronitrobenzene

HCID 67767CAS 364-74-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=[N+]([O-])c1cc(F)ccc1F
InChIKey: XNJAYQHWXYJBBD-UHFFFAOYSA-N
분자식: C6H3F2NO2
평균 분자량: 159.09 g/mol
단동위원소 질량: 159.01318478

개요

structure given in first source

이름 및 식별자

우선 이름: 2,5-Difluoronitrobenzene
IUPAC: 1,4-difluoro-2-nitrobenzene
현지명: 디플로로니트로벤젠(2,5-)
영어명: 2,5-Difluoronitrobenzene
분자식: C6H3F2NO2
분자량: 159.09

이름 및 동의어

2,5-Difluoronitrobenzene364-74-91,4-Difluoro-2-nitrobenzeneBenzene, 1,4-difluoro-2-nitro-UYT39NR8J2NSC-528657DTXSID60189921RefChem:82849DTXCID20112412206-663-42,5-difluoro-1-nitrobenzene1,4-Difluoro-2-nitro-benzene

이름 더 보기

디플로로니트로벤젠(2,5-)2,5-다이플루오로나이트로벤젠AKOS BBS-000064682,5-Difluoronitroben3,5-diflurobenzalcohol2,5-Difluotonitrobenzene1,4-difluoro-2-nitro-benzen2,5-Difluoronitrobenzene98%1-Nitro-2,5-difluorobenzene

MFCD00007054NSC 5286572,5 difluoronitrobenzene2,5 -difluoronitrobenzeneSCHEMBL1027802,5-Difluoronitrobenzene, 97%NSC528657EINECS 206-663-4

데이터베이스 식별자

CAS: 364-74-9
PubChem CID: 67767
DTXSID: DTXSID60189921
ChEMBL: CHEMBL164704
UNII: UYT39NR8J2
EC Number: 206-663-4
Nikkaji: J193.868A

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 159

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic

SpringerMaterials PropertiesOptical coefficient

LogP1.86

Vapor Pressure0.35 [mmHg]

Physical DescriptionLight yellow liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -11.7 °C · -11.7 °C (lit.)
끓는 점: 206.5 °C · 206.5 °C (lit.)
밀도: 1.467 g/mL · 1.467 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.509(lit.)
인화점: 194 °F · 194 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 맑은 노란색
Specific Gravity: 1.467 · 1.467
수용성: 불용성
BRN: 2210200 · 2210200
InChI: InChI=1S/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChIKey: XNJAYQHWXYJBBD-UHFFFAOYSA-N
SMILES: C1(F)=CC=C(F)C=C1[N+]([O-])=O
NIST: 2 · 2,5-Difluoronitrobenzene(364-74-9)

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (16.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryCauses methemoglobinemia in acute oral studies of rats; [RTECS] A skin and strong eye irritant; Toxic by inhalation; Harmful by ingestion and skin absorption; May have cumulative effects; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (16.3%)

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

안전 데이터

wgk: 3
rtecs: CZ5715000
ridadr: 2810
HS 번호: 29049090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2,5-Difluoronitrobenzene was used in the synthesis of :N-alkylated 2-arylaminobenzimidazolesquinoxalinonesN-(2-nitro-4-fluorophenyl)-l,2,3,4-tetrahydroisoquinoline

상·하류 제품 정보

상류 원료

Benzene, 1,4-difluoro-2,3-dinitro-디플로로벤젠(1,4-)나이트로벤젠 디플르오르아닐린(2,5-)

하류 제품

플로로니트로벤젠 디플로로니트로벤젠(3,4-)1-BROMO-4-FLUORO-2-NITROBENZENE 4-Methoxy-2-nitrobenzoic acid 6-플루오로-2-옥신돌 (4-fluoro-2-nitrophenyl)methanamine 3-(4-Fluoro-2-nitro-phenoxymethyl)-pyridine 메틸2-(4-플루오로-2-니트로페닐)아세테이트 N-시클로프로필-4-플루오로-2-니트로아닐린 Benzene, 1-(4-chlorophenoxy)-4-fluoro-2-nitro-Diethyl 2-(4-fluoro-2-nitrophenyl)malonate

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

연결된 노트

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