4-브로모-2-플루오로벤질아민

(4-Bromo-2-fluorophenyl)methanamine

HCID 3770848CAS 112734-22-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCc1ccc(Br)cc1F
InChIKey: RLTFBWCBGIZCDQ-UHFFFAOYSA-N
분자식: C7H7BrFN
평균 분자량: 204.04 g/mol
단동위원소 질량: 202.97458954

이름 및 식별자

우선 이름: (4-Bromo-2-fluorophenyl)methanamine
IUPAC: (4-bromo-2-fluorophenyl)methanamine
현지명: 4-브로모-2-플루오로벤질아민
영어명: 4-Bromo-2-fluorobenzylamine
분자식: C7H7BrFN
분자량: 204.04

이름 및 동의어

(4-bromo-2-fluorophenyl)methanamineRefChem:402486642-674-44-BROMO-2-FLUOROBENZYLAMINE112734-22-22-fluoro-4-bromobenzylamine1-(4-bromo-2-fluorophenyl)methanamine2-Fluoro-4-bromobenzyl amine4-Bromo-2-fluorobenzyl amineMFCD00153076(4-bromo-2-fluoro-phenyl)methanamine(4-bromo-2-fluorophenyl) methanamine

이름 더 보기

4-브로모-2-플루오로벤질아민MINA-002TIMTEC-BB SBB005778RARECHEM AL BW 07724-Bromo-2-fluorobenzylamine,99%2-Fluoro-4-Bromobenzylamine HCl4-Bromo-2-fluorobenzenemethanamine4-BroMo-2-fluorobenzylaMine, 99% 5GR

CS-W004742AC-1967SY033189EN300-144216(4-bromo-2-fluorophenyl)methylamineBenzenemethanamine, 4-bromo-2-fluoro-4-Bromo-2-fluoroFT-0617776

데이터베이스 식별자

CAS: 112734-22-2
PubChem CID: 3770848
DTXSID: DTXSID00396192
EC Number: 642-674-4
Nikkaji: J2.403.725H

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

끓는 점: 244.5 · 244.5±25.0 °C(Predicted)
밀도: 1.571 · 1.571±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 8.43 · 8.43±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.58 · 1.58
색상: 무색투명~미황색
InChI: InChI=1S/C7H7BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
InChIKey: RLTFBWCBGIZCDQ-UHFFFAOYSA-N
SMILES: C1(CN)=CC=C(Br)C=C1F

화학적 성질

Clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.