기본 정보
- 표준 SMILES
NCc1ccccc1C(F)(F)F- InChIKey
ZSKQIFWUTUZAGF-UHFFFAOYSA-N- 분자식
- C8H8F3N
- 평균 분자량
- 175.15 g/mol
- 단동위원소 질량
- 175.06088392
이름 및 식별자
- 우선 이름
- 2-(Trifluoromethyl)benzylamine
- IUPAC
- [2-(trifluoromethyl)phenyl]methanamine
- 현지명
- 2-(트리플루오로메틸)벤질라민
- 영어명
- 2-(Trifluoromethyl)benzylamine
- 분자식
- C8H8F3N
- 분자량
- 175.15
이름 및 동의어
2-(Trifluoromethyl)benzylamine3048-01-9DTXSID30184549EINECS 221-258-2RefChem:462553DTXCID20107040221-258-22-Trifluoromethylbenzylamine(2-(Trifluoromethyl)phenyl)methanamine[2-(Trifluoromethyl)phenyl]methanamineBenzenemethanamine, 2-(trifluoromethyl)-2-(Trifluoromethyl)benzyl amine
이름 더 보기
2-(트리플루오로메틸)벤질라민2-(Trifluoromethyl)benzenemethanamineJACS-3048-1-9TIMTEC-BB SBB006694RARECHEM AL BW 01562-(Trifluoromethyl)b0-(Trifluoromethyl)benzylamine2-(Trifluoromethyl)benzylamlne
1-[2-(trifluoromethyl)phenyl]methanamineo-TrifluoromethylbenzylamineMFCD00010297o-trifluoromethylbenzyl amine[2-(trifluoromethyl)phenyl]methylamine2-(Aminomethyl)benzotrifluorideo-(trifluoromethyl)benzylamine2-trifluoromethylbenzyl amine
데이터베이스 식별자
- CAS
3048-01-9- PubChem CID
- 76447
- DTXSID
DTXSID30184549- ChEMBL
CHEMBL13126- EC Number
- 221-258-2
- Nikkaji
- J205.354C
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 144
물리화학적 성질
- 끓는 점
- 108 · 108-110°C 64mm
- 밀도
- 1.249 g/mL · 1.249 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.471(lit.)
- 인화점
- 157 °F · 157 °F
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 8.27 · 8.27±0.10(Predicted)
- Specific Gravity
- 1.249 · 1.249
- 색상
- 무색투명~연황색
- BRN
- 1103424 · 1103424
- InChI
- InChI=1S/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2
- InChIKey
- ZSKQIFWUTUZAGF-UHFFFAOYSA-N
- SMILES
- C1(CN)=CC=CC=C1C(F)(F)F
화학적 성질
clear colorless to light yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 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 CategoriesAcute Tox. 4 (85.4%)
안전 데이터
- wgk
- 2
- ridadr
- UN 2735 8/PG 3
- HS 번호
- 29214990
- risk_code
- 22-34-52/53
- hazard_code
- C
- safety_code
- 26-36/37/39-45-61
- 포장분류
- III
- 위험 등급
- 8
- F 고인화성물질
- 10-34
- 위험 참고 사항
- Corrosive
화학 및 산업
상·하류 제품 정보
상류 원료
공급사50 곳
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