2-Bromophenethylamine

HCID 2734091CAS 65185-58-2

기본 정보

표준 SMILES: NCCc1ccccc1Br
InChIKey: ITRNQMJXZUWZQL-UHFFFAOYSA-N
분자식: C8H10BrN
평균 분자량: 200.08 g/mol
단동위원소 질량: 198.99966142

이름 및 식별자

우선 이름: 2-Bromophenethylamine
IUPAC: 2-(2-bromophenyl)ethanamine
영어명: 2-Bromophenethylamine
분자식: C8H10BrN
분자량: 200.08

이름 및 동의어

2-Bromophenethylamine65185-58-2DTXSID80370117RefChem:467289DTXCID70321153628-929-22-(2-bromophenyl)ethanamine2-bromophenylethylamine2-(2-bromophenyl)ethylamine2-(2-bromophenyl)ethan-1-amineMFCD01529874CHEMBL447753

이름 더 보기

RARECHEM AL BW 02012-Bromophenethanamine2-bromophenylethyl amine2-BroMophenethylaMine 97%2-BroMo-benzeneethanaMine2-Bromophenethylamine,99%BENZENEETHANAMINE, 2-BROMO-1-Amino-(2-bromophenyl)ethane

2-(2-Bromophenyl)ethanamine; 2-(2-Bromophenyl)ethylamine; 2-Bromobenzeneethanamine; 2-Bromophenethylamine; o-Bromophenethylamine2-bromo phenethylamine2-bromo-phenethylamine2-bromophen-ethylamine2-bromophenethyl amine2-Bromophenethylamine, 97%2-(2-bromopheneyl)ethylamineSCHEMBL265615

데이터베이스 식별자

CAS: 65185-58-2
PubChem CID: 2734091
DTXSID: DTXSID80370117
ChEMBL: CHEMBL447753
EC Number: 628-929-2
Nikkaji: J1.611.924E

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95.3

물리화학적 성질

끓는 점: 253 °C · 253 °C(lit.)
밀도: 1.396 g/mL · 1.396 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5770(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 9.52 · 9.52±0.10(Predicted)
색상: 무색투명~미황색
InChI: 1S/C8H10BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChIKey: ITRNQMJXZUWZQL-UHFFFAOYSA-N
SMILES: NCCc1ccccc1Br

화학적 성질

Clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.