기본 정보
- 표준 SMILES
CNc1ccccc1F- InChIKey
LDVAIJZDACHGML-UHFFFAOYSA-N- 분자식
- C7H8FN
- 평균 분자량
- 125.14 g/mol
- 단동위원소 질량
- 125.06407748
이름 및 식별자
- 우선 이름
- 2-Fluoro-N-methylaniline
- IUPAC
- 2-fluoro-N-methylaniline
- 영어명
- 2-Fluoro-N-methylaniline
- 분자식
- C7H8FN
- 분자량
- 125.14
이름 및 동의어
2-Fluoro-N-methylaniline1978-38-7DTXSID30374600RefChem:472602DTXCID10325630672-677-6n-methyl-2-fluoroanilineBenzenamine, 2-fluoro-N-methyl-2-fluoro-N-methyl-anilinen-(2-fluorophenyl)-n-methylamineMFCD00028030(2-fluoro-phenyl)-methyl-amine
이름 더 보기
uoro-N-methyL2-Fluoro-N-methylani2-Fluoro-N-methylanineo-Fluoro-N-MethylanilineN-Methyl-o-fluoroaniline2-Fluoro-N-methylaniline>2-FLUORO-N-METHYLANILINE 98%2-Fluoro-N-MethylbenzenaMine
AKOS000259941CS-W013511AC-13791EN300-59274F11218Z335276746o-Fluoro-N-methylaniline; 2-Fluoro-N-methylbenzenamine; N-(2-Fluorophenyl)methylamine; N-Methyl-2-fluoroaniline; N-Methyl-o-fluoroaniline;AM20030278
데이터베이스 식별자
- CAS
1978-38-7- PubChem CID
- 2759010
- DTXSID
DTXSID30374600- EC Number
- 672-677-6
- Nikkaji
- J2.329.602K
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 85
물리화학적 성질
- 끓는 점
- 87 · 87-88°C/20mm
- 밀도
- 1.1 g/ml · 1.1g/ml
- 굴절률
- 1.534 · 1.5340-1.5390
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 3.65 · 3.65±0.10(Predicted)
- 색상
- 무색~연황색
- InChI
- InChI=1S/C7H8FN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
- InChIKey
- LDVAIJZDACHGML-UHFFFAOYSA-N
- SMILES
- C1(NC)=CC=CC=C1F
화학적 성질
Deep brown liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H227 (25%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 4 (25%)
안전 데이터
- HS 번호
- 29215900
- risk_code
- 36/37/38-25
- hazard_code
- T
- safety_code
- 26-36/37/39-45-24/25
- 기존화학 물질
- 2005-3-3353
화학 및 산업
응용 분야
용도2-Fluoro-N-methylaniline is an aniline derivative used in the preparation of various pharmaceutical compounds such as muscarinic agonists.
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