기본 정보
- CAS
327-92-4- 표준 SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(F)cc1F- InChIKey
VILFTWLXLYIEMV-UHFFFAOYSA-N- 분자식
- C6H2F2N2O4
- 평균 분자량
- 204.09 g/mol
- 단동위원소 질량
- 203.99826298
개요
structure
이름 및 식별자
- 우선 이름
- 1,5-Difluoro-2,4-dinitrobenzene
- IUPAC
- 1,5-difluoro-2,4-dinitrobenzene
- 영어명
- 1,5-Difluoro-2,4-dinitrobenzene
- 분자식
- C6H2F2N2O4
- 분자량
- 204.09
이름 및 동의어
1,5-Difluoro-2,4-dinitrobenzene327-92-41,3-Difluoro-4,6-dinitrobenzeneBenzene, 1,5-difluoro-2,4-dinitro-G5VV4MQ22VNSC-10246DTXSID60598132,4-Dinitro-1,5-difluorobenzeneRefChem:417222DTXCID9038557206-324-01,3-Dinitro-4,6-difluorobenzene
이름 더 보기
FFDNB5-Fluoro-2-NitroanlineLABOTEST-BB LT001595204,6-Dinitro-1,3-difluorobenzene1,5-DINITRO-2,4-DIFLUOROBENZENE
4,6-Difluoro-1,3-dinitrobenzeneC6H2F2N2O4MFCD00007052DFDNB2,4-difluoro-1,5-dinitrobenzene1,5-difluoro-2,4-dinitro-benzeneSCHEMBL45486SCHEMBL18934671
데이터베이스 식별자
- CAS
327-92-4- PubChem CID
- 67598
- DTXSID
DTXSID6059813- UNII
- G5VV4MQ22V
- EC Number
- 206-324-0
- Nikkaji
- J193.748K
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 91.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 227
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
Physical DescriptionPowder; [MSDSonline]
물리화학적 성질
- 녹는점
- 72 · 72-74 °C (lit.)
- 끓는 점
- 306.8 · 306.8±37.0 °C(Predicted)
- 밀도
- 1.693 · 1.6930 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 색상
- White to Orange to Green
- 수용성
- 불용성
- BRN
- 1883116 · 1883116
- InChI
- 1S/C6H2F2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
- InChIKey
- VILFTWLXLYIEMV-UHFFFAOYSA-N
- SMILES
- [O-][N+](=O)c1cc(c(F)cc1F)[N+]([O-])=O
- NIST
- 1 · Benzene, 1,3-difluoro-4,6-dinitro-(327-92-4)
- EPA
- 1 · Benzene, 1,5-difluoro-2,4-dinitro- (327-92-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (95.7%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryAn irritant; Toxic after ingestion, inhalation, or skin contact; May cause skin sensitization; Effects in chronic studies of experimental animals include tremor, somnolence, and muscle weakness. [MSDSonline] See m-Dinitrobenzene.
Hazard Classes and CategoriesAcute Tox. 2 (95.7%)
독성 정보
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CZ5663200
- ridadr
- UN 2811 6.1/PG 1
- HS 번호
- 29049085
- risk_code
- 23/24/25-33-38
- hazard_code
- T
- safety_code
- 36/37/39-45-36/37-28A-28
- 포장분류
- II
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Reagents with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between side chains of amino acids in proteins; the locations of naturally reactive areas within proteins can thereby be identified; may also be used for other macromolecules, like glycoproteins, nucleic acids, or other.
용도 및 제조
UsesUsed to characterize peptide cross-linkages; [Ullmann]
General Manufacturing InformationBenzene, 1,5-difluoro-2,4-dinitro-: INACTIVE
상·하류 제품 정보
상류 원료
하류 제품
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