4-(트리플루오로메톡시)벤질라민

4-(Trifluoromethoxy)benzylamine

HCID 571846CAS 93919-56-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCc1ccc(OC(F)(F)F)cc1
InChIKey: DBGROTRFYBSUTR-UHFFFAOYSA-N
분자식: C8H8F3NO
평균 분자량: 191.15 g/mol
단동위원소 질량: 191.05579854

이름 및 식별자

우선 이름: 4-(Trifluoromethoxy)benzylamine
IUPAC: [4-(trifluoromethoxy)phenyl]methanamine
현지명: 4-(트리플루오로메톡시)벤질라민
영어명: 4-(Trifluoromethoxy)benzylamine
분자식: C8H8F3NO
분자량: 191.15

이름 및 동의어

4-(Trifluoromethoxy)benzylamine93919-56-3EINECS 300-040-1DTXSID20239895RefChem:517073DTXCID70162386300-040-1(4-(trifluoromethoxy)phenyl)methanamine[4-(Trifluoromethoxy)phenyl]methanamine1-[4-(trifluoromethoxy)phenyl]methanamine4-(trifluoromethoxy)benzyl amineMFCD00061237

이름 더 보기

4-(트리플루오로메톡시)벤질라민RARECHEM AL BW 04494-trifluoromethoxylbenzylamineP-TRIFLUOROMETHOXYBENZYL AMINE4-(Trifluoromethoxy)benzylamine97%4-(Trifluoromethoxy)benzylamine 97%P-(TrifluoroMethoxy)benzeneMethanaMine4-(Trifluoromethoxy)benzenemethanamine

Benzenemethanamine, 4-(trifluoromethoxy)-4-trifluoromethoxybenzylamine4-trifluoromethoxybenzyl amineSCHEMBL1067414-trifluoromethoxy-benzyl amine[4-(trifluoromethoxy)phenyl]methylamineFS-1027EN300-25596

데이터베이스 식별자

CAS: 93919-56-3
PubChem CID: 571846
DTXSID: DTXSID20239895
ChEMBL: CHEMBL216733
EC Number: 300-040-1
Nikkaji: J320.482K

물성

구조 계산 물성

XLogP: 2
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 152

물리화학적 성질

끓는 점: 57 · 57-60 °C10 mm Hg(lit.)
밀도: 1.252 g/mL · 1.252 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.452(lit.)
인화점: 172 °F · 172 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 8.75 · 8.75±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.252 · 1.252
색상: 무색투명~연황색
BRN: 8200624 · 8200624
InChI: 1S/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
InChIKey: DBGROTRFYBSUTR-UHFFFAOYSA-N
SMILES: NCc1ccc(OC(F)(F)F)cc1

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (15.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.