기본 정보
- CAS
175204-80-5- 표준 SMILES
Nc1cnccc1C(F)(F)F- InChIKey
DROFUWWORPKKSI-UHFFFAOYSA-N- 분자식
- C6H5F3N2
- 평균 분자량
- 162.11 g/mol
- 단동위원소 질량
- 162.04048282
이름 및 식별자
- 우선 이름
- 3-Amino-4-(trifluoromethyl)pyridine
- IUPAC
- 4-(trifluoromethyl)pyridin-3-amine
- 영어명
- 3-Amino-4-(trifluoromethyl)pyridine
- 분자식
- C6H5F3N2
- 분자량
- 162.11
이름 및 동의어
3-Amino-4-(trifluoromethyl)pyridine175204-80-53-amino-4-trifluoromethylpyridineDTXSID60371046RefChem:497231DTXCID30322080670-887-24-(trifluoromethyl)pyridin-3-amine3-Pyridinamine, 4-(trifluoromethyl)-MFCD001739604-trifluoromethyl-pyridin-3-ylamine4-(trifluoromethyl)-3-Pyridinamine
이름 더 보기
BUTTPARK 43\57-403-amino-4-(trifluoromthyl)pyridine3-Amino-4-(trifluoromethyl)pyridine97%3-Amino-4-(trifluoromethyl)pyridine 97%4-(Trifluoromethyl)pyridin-3-amine ISO 9001:2015 REACH
SCHEMBL971004orb3030214SCHEMBL2068190SCHEMBL30905972GJOMVBPTYCNYOS-UHFFFAOYSA-N4-Trifluoromethyl-3-pyridinylamineFr141874-(trifluoromethyl)-3-pyridylamine
데이터베이스 식별자
- CAS
175204-80-5- PubChem CID
- 2735957
- DTXSID
DTXSID60371046- EC Number
- 670-887-2
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 38.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 134
물리화학적 성질
- 녹는점
- 49 · 49-52°C
- 끓는 점
- 63 °C · 63°C 1,5mm
- 밀도
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to lump
- 산도 계수 (pKa)
- 3.81 · 3.81±0.18(Predicted)
- 색상
- Light yellow to Yellow to Orange
- InChI
- InChI=1S/C6H5F3N2/c7-6(8,9)4-1-2-11-3-5(4)10/h1-3H,10H2
- InChIKey
- DROFUWWORPKKSI-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(C(F)(F)F)=C1N
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (33.3%)
안전 데이터
- HS 번호
- 2933399990
- risk_code
- 20/21/22-36/37/38-34-22-43-36-25
- hazard_code
- Xi,Xn,C,T
- safety_code
- 22-36/37/39-36/37-45-26
- 위험 참고 사항
- Irritant
화학 및 산업
공급사100 곳
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