3-클로로-4-(트리플루오로메틸)벤질아민

3-Chloro-4-(trifluoromethyl)benzylamine

HCID 23512744

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 361393-93-3
표준 SMILES: NCc1ccc(C(F)(F)F)c(Cl)c1
InChIKey: GRCRXCBPWHSEOI-UHFFFAOYSA-N
분자식: C8H7ClF3N
평균 분자량: 209.59 g/mol
단동위원소 질량: 209.0219114

이름 및 식별자

우선 이름: 3-Chloro-4-(trifluoromethyl)benzylamine
IUPAC: [3-chloro-4-(trifluoromethyl)phenyl]methanamine
현지명: 3-클로로-4-(트리플루오로메틸)벤질아민
영어명: 3-CHLORO-4-(TRIFLUOROMETHYL)BENZYL AMINE
분자식: C8H7ClF3N
분자량: 209.6

이름 및 동의어

3-Chloro-4-(trifluoromethyl)benzylamine361393-93-33-Chloro-4-(trifluoromethyl)benzyl amine[3-chloro-4-(trifluoromethyl)phenyl]methanamineMFCD049727591-[3-chloro-4-(trifluoromethyl)phenyl]methanamine(3-Chloro-4-(trifluoromethyl)phenyl)methanamine[3-chloro-4-(trifluoromethyl)phenyl]methylamineBenzenemethanamine, 3-chloro-4-(trifluoromethyl)-3-chloro-4-trifluoromethylbenzylamineSCHEMBL717599SCHEMBL30152373

이름 더 보기

3-클로로-4-(트리플루오로메틸)벤질아민RARECHEM AL BW 10563-Chloro-4-(trifluoromethyl)benzylamine,97%2-chloro-4-(trifluoromethyl)benzaldehyde oxime3-Chloro-4-(trifluoromethyl)benzenemethanamine[3-chloro-4-(trifluoromethyl)phenyl]methanamine - [AC78380]

DTXSID70634674SBB0704633-chloro-4-trifluoromethyl-benzylamineAKOS015890198AC-4555JS-4837SB78652SY021996

데이터베이스 식별자

CAS: 361393-93-3
PubChem CID: 23512744
DTXSID: DTXSID70634674
EC Number: 674-914-9

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

끓는 점: 233.3 · 233.3±35.0 °C(Predicted)
밀도: 1.353 · 1.353±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 액체
산도 계수 (pKa): 8.31 · 8.31±0.10(Predicted)
색상: Clear, faint yellow
수용성: 물에 불용성.

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.