2-클로로-3-(트리플루오로메틸)벤질라민

2-Chloro-3-(trifluoromethyl)benzylamine

HCID 5224207

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 39226-96-5
표준 SMILES: NCc1cccc(C(F)(F)F)c1Cl
InChIKey: GRFVQNWTQVWNBY-UHFFFAOYSA-N
분자식: C8H7ClF3N
평균 분자량: 209.59 g/mol
단동위원소 질량: 209.02191156

이름 및 식별자

우선 이름: 2-Chloro-3-(trifluoromethyl)benzylamine
IUPAC: [2-chloro-3-(trifluoromethyl)phenyl]methanamine
현지명: 2-클로로-3-(트리플루오로메틸)벤질라민
영어명: 2-Chloro-3-(trifluoromethyl)benzylamine
분자식: C8H7ClF3N
분자량: 209.6

이름 및 동의어

2-CHLORO-3-(TRIFLUOROMETHYL)BENZYLAMINERefChem:468652679-303-039226-96-5(2-chloro-3-(trifluoromethyl)phenyl)methanamine[2-chloro-3-(trifluoromethyl)phenyl]methanamineMFCD041159901-[2-Chloro-3-(trifluoromethyl)phenyl]methanamine2-Chloro-3-(trifluoromethyl)benzyl amine{[2-chloro-3-(trifluoromethyl)phenyl]methyl}amineDS-13722SY053117

이름 더 보기

2-클로로-3-(트리플루오로메틸)벤질라민P2X7 receptor antagonist-72-Chloro-3-(trifluoromethyl)benzylamine >Benzenemethanamine, 2-chloro-3-(trifluoromethyl)-

[(2-chloro-3-trifluoromethylphenyl)methyl]amine[2-chloro-3-(trifluoromethyl)phenyl]methylamineBenzenemethanamine, 2-chloro-3-(trifluoromethyl)-2-Chloro-3-trifluoromethyl-benzylamineAM83239FT-0724209CHEMBL274156SCHEMBL1635491

데이터베이스 식별자

CAS: 39226-96-5
PubChem CID: 5224207
DTXSID: DTXSID70411306
ChEMBL: CHEMBL274156
EC Number: 679-303-0
Nikkaji: J565.900K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 171

물리화학적 성질

녹는점: 35 · 35-38℃
끓는 점: 223 ℃ · 223℃
밀도: 1.353 · 1.353
인화점: 87 ℃ · 87℃
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 메탄올에 용해됨
물리적 상태: powder to lump
색상: 흰색에서 노란색, 주황색으로

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.