2-플루오로-3-니트로톨루엔

2-Fluoro-1-methyl-3-nitrobenzene

HCID 13470957

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 437-86-5
표준 SMILES: Cc1cccc([N+](=O)[O-])c1F
InChIKey: NBCNUIXYBLFJMI-UHFFFAOYSA-N
분자식: C7H6FNO2
평균 분자량: 155.13 g/mol
단동위원소 질량: 155.03825665

이름 및 식별자

우선 이름: 2-Fluoro-1-methyl-3-nitrobenzene
IUPAC: 2-fluoro-1-methyl-3-nitrobenzene
현지명: 2-플루오로-3-니트로톨루엔
영어명: 2-Fluoro-3-nitrotoluene
분자식: C7H6FNO2
분자량: 155.13

이름 및 동의어

437-86-52-fluoro-1-methyl-3-nitrobenzeneDTXSID60541661RefChem:260817DTXCID60492447639-386-62-Fluoro-3-nitrotolueneMFCD03412242Benzene, 2-fluoro-1-methyl-3-nitro-SCHEMBL57341-Methyl-2-fluoro-3-nitro-benzeneAC-444

이름 더 보기

2-플루오로-3-니트로톨루엔2-Fluoro-3-nitrotoluen2-fluoro-3-Nitrotoluol2-Fluoro-3-nitrotluene2-FLUORO-1-METHYL-3-NITR2-Fluoro-3-nitrotoluene>2-fluoro-3-methylnitrobenzene2-Fluoro-3-maethylnitrobenzene2-Fluoro-1-methyl-3-nitrobenzece

AKOS005145653AB14386SB37186AS-12612SY0054162-Fluoro-3-methylnitrobenzeneEN300-1149072-fluoro-1-methyl-3-nitro-benzene

데이터베이스 식별자

CAS: 437-86-5
PubChem CID: 13470957
DTXSID: DTXSID60541661
EC Number: 639-386-6
Nikkaji: J2.483.392E

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 157

물리화학적 성질

녹는점: 19 ℃ · 19℃
끓는 점: 111 ℃/12mm · 111℃/12mm
밀도: 1.276 · 1.276
인화점: 98 ° · 98°(208°F)
굴절률: 1.529 · 1.5290
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색~담황색
InChI: InChI=1S/C7H6FNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3
InChIKey: NBCNUIXYBLFJMI-UHFFFAOYSA-N
SMILES: C1(C)=CC=CC([N+]([O-])=O)=C1F
LogP: 1.423 · 1.423

화학적 성질

Clear light yellow to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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 12 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 06-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29322

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

안전 데이터

HS 번호: 29039990
risk_code: 34-36/37/38-20/22
hazard_code: Xi,C
safety_code: 26-36/37/39-45-36/37
위험 등급: 6.1
위험 참고 사항: Harmful/Irritant

화학 및 산업

응용 분야 · 1건

용도2-Fluoro-3-nitrotoluene is a class of fluorinated aromatic compounds. Compared with fluorinated aromatic compounds, fluorinated aromatic compounds have excellent properties in the fields of medicine and pesticides, such as low dosage, low toxicity, high efficacy, and strong metabolic capacity, and are widely used.