4-FLUORO-3-(트리플루오로메틸)벤질아민

[4-Fluoro-3-(trifluoromethyl)phenyl]methanamine

HCID 522270

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 67515-74-6
표준 SMILES: NCc1ccc(F)c(C(F)(F)F)c1
InChIKey: HZDVQEUISWBXPV-UHFFFAOYSA-N
분자식: C8H7F4N
평균 분자량: 193.14 g/mol
단동위원소 질량: 193.05146188

이름 및 식별자

우선 이름: [4-Fluoro-3-(trifluoromethyl)phenyl]methanamine
IUPAC: [4-fluoro-3-(trifluoromethyl)phenyl]methanamine
현지명: 4-FLUORO-3-(트리플루오로메틸)벤질아민
영어명: 4-Fluoro-3-(trifluoromethyl)benzylamine
분자식: C8H7F4N
분자량: 193.14

이름 및 동의어

(4-Fluoro-3-(trifluoromethyl)phenyl)methanamine[4-Fluoro-3-(trifluoromethyl)phenyl]methanamineRefChem:402828671-097-067515-74-64-Fluoro-3-(trifluoromethyl)benzylamine4-Fluoro-3-(trifluoromethyl)benzyl amineMFCD00070814[4-fluoro-3-(trifluoromethyl)phenyl]methylamine1-[4-fluoro-3-(trifluoromethyl)phenyl]methanamineBenzenemethanamine, 4-fluoro-3-(trifluoromethyl)-4-fluoro-3-trifluoromethyl-benzylamine

이름 더 보기

4-FLUORO-3-(트리플루오로메틸)벤질아민RARECHEM AL BW 06705-(Aminomethyl)-2-fluorobenzotrifluoride4-Fluoro-3-(trifluoromethyl)benzylamine97%4-Fluoro-3-(trifluoromethyl)benzylamine 97%((4-Fluoro-3-(trifluoromethyl)phenyl)methyl)amine

SCHEMBL41768SCHEMBL41769DTXSID703349053-trifluoromethyl-4-fluorobenzylamineCK2417SBB091544AKOS0091591974-Fluoro3-(trifluoromethyl)benzylamine

데이터베이스 식별자

CAS: 67515-74-6
PubChem CID: 522270
DTXSID: DTXSID70334905
EC Number: 671-097-0

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 168

물리화학적 성질

끓는 점: 101 °C · 101°C 3mm
밀도: 1.312 · 1.312
굴절률: 1.456 · 1.456
인화점: 101 °C/3mm · 101°C/3mm
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
산도 계수 (pKa): 8 · 8+-.0.10(Predicted)
물리적 상태: solid
BRN: 3083164 · 3083164
InChI: 1S/C8H7F4N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2
InChIKey: HZDVQEUISWBXPV-UHFFFAOYSA-N
SMILES: NCc1ccc(F)c(c1)C(F)(F)F

화학적 성질

clear slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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.