3-Fluoro-4-nitroanisole

HCID 565654CAS 446-38-8

기본 정보

표준 SMILES: COc1ccc([N+](=O)[O-])c(F)c1
InChIKey: PLEJCMKVJYUUBA-UHFFFAOYSA-N
분자식: C7H6FNO3
평균 분자량: 171.13 g/mol
단동위원소 질량: 171.03317127

이름 및 식별자

우선 이름: 3-Fluoro-4-nitroanisole
IUPAC: 2-fluoro-4-methoxy-1-nitrobenzene
영어명: 3-Fluoro-4-nitroanisole
분자식: C7H6FNO3
분자량: 171.13

이름 및 동의어

3-Fluoro-4-nitroanisole446-38-8DTXSID10340560RefChem:279446DTXCID30291641695-695-62-Fluoro-4-methoxy-1-nitrobenzene2-fluoro-4-methoxy-1-nitro-benzeneMFCD04115632SCHEMBL6520SCHEMBL19058467Nitrobenzene,-2-fluoro,-4-methoxy

이름 더 보기

Anisole, 3-fluoro-4-nitro-3-Fluoro-4-nitroanisole 98%3-Fluor-4-nitrophenylmethyletherBenzene, 2-fluoro-4-methoxy-1-nitro-2-FLUORO-4-(METHOXY-D3)-1-NITROBENZENE5-Fluoro3-Fluoro-4-nitroanisole-2-nitrotoluene2-Fluoro-4-methoxynitrobenzene[3-Fluoro-4-nitroanisole

AC-3806F12912-Fluoro-4-methoxynitrobenzene4-Methoxy-2-fluoro-1-nitrobenzene3-Fluoro-4-nitrophenyl methyl ether[4S-(4alpha,4aalph3-fluoro-4-nitroanisol3-fluoro-4-nitro-anisol

데이터베이스 식별자

CAS: 446-38-8
PubChem CID: 565654
DTXSID: DTXSID10340560
EC Number: 695-695-6
Nikkaji: J1.701.634B

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 171

물리화학적 성질

녹는점: 57.3 · 57.3
끓는 점: 264.5 · 264.5±20.0 °C(Predicted)
밀도: 1.321 · 1.321±0.06 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
물리적 상태: 결정질 고체
색상: 회백색
InChI: InChI=1S/C7H6FNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChIKey: PLEJCMKVJYUUBA-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=CC=C(OC)C=C1F

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (90.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (90.5%)

안전 데이터

wgk: WGK 3
ridadr: 3261
HS 번호: 2909309090
risk_code: 34
hazard_code: Xi,C
safety_code: 26-36/37/39-45
포장분류: Ⅱ
위험 등급: 8
위험 참고 사항: Irritant/Keep Cold
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도3-Fluoro-4-nitroanisole is synthesizing new antiseptic-germicide, sterilant, and the important organic fluoride-containing intermediate of liquid crystal material.