4-(트리플루오로메틸)벤질아민

4-(Trifluoromethyl)benzylamine

HCID 76804CAS 3300-51-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCc1ccc(C(F)(F)F)cc1
InChIKey: PRDBLLIPPDOICK-UHFFFAOYSA-N
분자식: C8H8F3N
평균 분자량: 175.15 g/mol
단동위원소 질량: 175.06088392

이름 및 식별자

우선 이름: 4-(Trifluoromethyl)benzylamine
IUPAC: [4-(trifluoromethyl)phenyl]methanamine
현지명: 4-(트리플루오로메틸)벤질아민
영어명: 4-(Trifluoromethyl)benzylamine
분자식: C8H8F3N
분자량: 175.15

이름 및 동의어

4-(Trifluoromethyl)benzylamine3300-51-4DTXSID60186637EINECS 221-971-9RefChem:517140DTXCID00109128221-971-9[4-(Trifluoromethyl)phenyl]methanamine4-(trifluoromethyl)benzyl amine(4-(trifluoromethyl)phenyl)methanamine4-Trifluoromethylbenzylamine1-[4-(trifluoromethyl)phenyl]methanamine

이름 더 보기

4-(트리플루오로메틸)벤질아민PTF-BYMp-CF3-benzylamine4-(TrifluoromethyRARECHEM AL BW 00304-triMethylbenzylaMine4-AMINOMETHYLBENZOTRIFLUORIDE-(Trifluoromethyl)benzylamine4-(three fluoroMethyl)benzyl aMine

p-(Trifluoromethyl)benzylamineBenzenemethanamine, 4-(trifluoromethyl)-p-trifluoromethylbenzyl amineMFCD00010220[4-(trifluoromethyl)benzyl]aminep-trifluoromethylbenzylamine4-Trifluoromethyl-benzylaminePRDBLLIPPDOICK-UHFFFAOYSA-

데이터베이스 식별자

CAS: 3300-51-4
PubChem CID: 76804
DTXSID: DTXSID60186637
ChEMBL: CHEMBL274193
EC Number: 221-971-9
Nikkaji: J236.273B

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 43 °C · 43 °C
끓는 점: 79 · 79-82 °C (15 mmHg)
밀도: 1.229 g/mL · 1.229 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.464(lit.)
인화점: 167 °F · 167 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 8.6 · 8.60±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.229 · 1.229
색상: 무색투명~연황색
BRN: 2640698 · 2640698
InChI: InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
InChIKey: PRDBLLIPPDOICK-UHFFFAOYSA-N
SMILES: C1(CN)=CC=C(C(F)(F)F)C=C1

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (18.8%): 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.