TRANS-4-(트리플루오로메틸)시클로헥산아민
cis-4-(Trifluoromethyl)cyclohexylamine
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기본 정보
- CAS
1073266-01-9- 표준 SMILES
NC1CCC(C(F)(F)F)CC1- InChIKey
YCBWLMWEQURJHX-UHFFFAOYSA-N- 분자식
- C7H12F3N
- 평균 분자량
- 167.17 g/mol
- 단동위원소 질량
- 167.09218387
이름 및 식별자
- 우선 이름
- cis-4-(Trifluoromethyl)cyclohexylamine
- IUPAC
- 4-(trifluoromethyl)cyclohexan-1-amine
- 현지명
- TRANS-4-(트리플루오로메틸)시클로헥산아민
- 영어명
- TRANS-4-(TRIFLUOROMETHYL)CYCLOHEXANAMINE
- 분자식
- C7H12F3N
- 분자량
- 167.17
이름 및 동의어
4-(trifluoromethyl)cyclohexanamine1073266-01-9cis-4-(Trifluoromethyl)cyclohexylaminetrans-4-(Trifluoromethyl)cyclohexylamineRefChem:577346833-847-7834-492-058665-70-61073266-02-0trans-4-(Trifluoromethyl)cyclohexanamine4-(Trifluoromethyl)cyclohexylamine4-(trifluoromethyl)cyclohexan-1-amine
이름 더 보기
TRANS-4-(트리플루오로메틸)시클로헥산아민HydroflavinCyclohexanamine, 4-(trifluoromethyl)-(1r,4r)-4-(trifluoromethyl)cyclohexanamineTRANS-4-(TRIFLUOROMETHYL)CYCLOHEXAN-1-AMINECyclohexanamine, 4-(trifluoromethyl)-, trans-
(1s,4s)-4-(trifluoromethyl)cyclohexan-1-amineTRANS-4-TRIFLUOROMETHYL-CYCLOHEXYLAMINE(1r,4r)-4-(trifluoromethyl)cyclohexan-1-aminecis-4-(trifluoromethyl)cyclohexan-1-amineMFCD09040573MFCD19686543cis-4-(Trifluoromethyl)cyclohexanaminerel-((1R,4R)-4-(Trifluoromethyl)cyclohexanamine)
데이터베이스 식별자
- CAS
1073266-01-9、1073266-02-0、58665-70-6- PubChem CID
- 13714353
- DTXSID
DTXSID30974205- EC Number
- 809-290-0、833-847-7、834-492-0
- Nikkaji
- J3.114.119B、J3.114.123K
물성
구조 계산 물성보충 중
- XLogP
- 1.9
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 124
물리화학적 성질
- 끓는 점
- 145.1 · 145.1±35.0 °C(Predicted)
- 밀도
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- 굴절률
- 1.404 to · 1.4040 to 1.4080
- 저장 조건
- 2 · 2-8°C, protect from light
- 산도 계수 (pKa)
- 10.29 · 10.29±0.70(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Light orange to Yellow
- InChI
- InChI=1S/C7H12F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6H,1-4,11H2/t5-,6-
- InChIKey
- YCBWLMWEQURJHX-IZLXSQMJSA-N
- SMILES
- [C@@H]1(N)CC[C@@H](C(F)(F)F)CC1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (95%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and Categories
Acute Tox. 4 (97.5%)；Skin Irrit. 2 (95%)；Eye Irrit. 2 (95%)；STOT SE 3 (95%)
Flam. Liq. 3 (100%)；Skin Corr. 1B (100%)；Eye Dam. 1 (100%)
Flam. Liq. 3 (100%)；Skin Corr. 1B (100%)；Eye Dam. 1 (100%)
안전 데이터
- ridadr
- UN 2734 8/3/PG II
- HS 번호
- 2921.30.3000
- 포장분류
- II
- 위험 등급
- 8/3
화학 및 산업
상·하류 제품 정보
상류 원료
관련 반응
4건
화합물 노트
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