기본 정보
- 표준 SMILES
NCCc1cccc(C(F)(F)F)c1- InChIKey
BPVYCXMGJPKOTQ-UHFFFAOYSA-N- 분자식
- C9H10F3N
- 평균 분자량
- 189.18 g/mol
- 단동위원소 질량
- 189.07653398
이름 및 식별자
- 우선 이름
- Phenethylamine, m-trifluoromethyl-
- IUPAC
- 2-[3-(trifluoromethyl)phenyl]ethanamine
- 현지명
- 3-(트리플루오로메틸)페네틸아민
- 영어명
- 3-(Trifluoromethyl)phenethylamine
- 분자식
- C9H10F3N
- 분자량
- 189.18
이름 및 동의어
52516-30-02-(3-trifluoromethylphenyl)ethylaminePhenethylamine, m-trifluoromethyl-m-(Trifluoromethyl)phenethylaminem-TrifluoromethylphenethylamineBRN 4398117EINECS 257-988-3DTXSID90200517RefChem:860590DTXCID20123008257-988-33-(trifluoromethyl)phenethylamine
이름 더 보기
3-(트리플루오로메틸)페네틸아민RARECHEM AL BW 0212m-trifluoromethyl-phenethylamin3-(2-AMINOETHYL)BENZOTRIFLUORIDE2-(3-Trifluoromethylphenyl)ethanamine2-(3-Trifluoromethylphenyl)rthylamine3-(Trifluoromethyl)phenethylamine ,98%
2-(3-(trifluoromethyl)phenyl)ethanamine2-[3-(trifluoromethyl)phenyl]ethanamineMFCD000407562-[3-(trifluoromethyl)phenyl]ethylamineBenzeneethanamine, 3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]ethan-1-amine3-(Trifluoromethyl)benzeneethanamine3-trifluoromethylphenethylamine
데이터베이스 식별자
- CAS
52516-30-0- PubChem CID
- 104223
- DTXSID
DTXSID90200517- ChEMBL
CHEMBL448523- UNII
- 49F5H9E5Y4
- EC Number
- 257-988-3
- Nikkaji
- J79.063J
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 155
물리화학적 성질
- 끓는 점
- 77 °C · 77 °C
- 밀도
- 1.186 · 1.186
- 굴절률
- 1.4635 · 1.4635-1.4655
- 인화점
- 81 ℃ · 81℃
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 9.73 · 9.73±0.10(Predicted)
- 색상
- 무색~담황색
화학적 성질
Clear colorless to pale yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (95.3%)
안전 데이터
- ridadr
- 2735
- HS 번호
- 29214990
- risk_code
- 34-36/37/38
- hazard_code
- C
- safety_code
- 45-36/37/39-25
- 포장분류
- II
- 위험 등급
- 8
- 위험 참고 사항
- Corrosive
화학 및 산업
약리 정보
Metabolism/Metabolites2-(3-(Trifluoromethyl)phenyl)ethanamine is a known human metabolite of (s)-norfenfluramine.
응용 분야
용도3-(TRIFLUOROMETHYL)PHENETHYLAMINE is an organic compound commonly used as an intermediate in the chemical synthesis of pharmaceuticals and pesticides.
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