3,4-디클로로프탈로레인

3,4-Dichlorophenethylamine

HCID 217958CAS 21581-45-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCc1ccc(Cl)c(Cl)c1
InChIKey: MQPUAVYKVIHUJP-UHFFFAOYSA-N
분자식: C8H9Cl2N
평균 분자량: 190.07 g/mol
단동위원소 질량: 189.01120465

개요

2-(3,4-dichlorophenyl)ethanamine is an organic molecular entity.

이름 및 식별자

우선 이름: 3,4-Dichlorophenethylamine
IUPAC: 2-(3,4-dichlorophenyl)ethanamine
현지명: 3,4-디클로로프탈로레인
영어명: 3,4-DICHLOROPHENETHYLAMINE
분자식: C8H9Cl2N
분자량: 190.07

이름 및 동의어

3,4-Dichlorophenethylamine21581-45-3DTXSID60276921RefChem:485982DTXCID20203036626-552-82-(3,4-Dichlorophenyl)ethanamine2-(3,4-dichlorophenyl)ethan-1-amineBenzeneethanamine, 3,4-dichloro-2-(3,4-Dichlorophenyl)ethylamine2-(3,4-Dichloro-phenyl)-ethylamineMFCD00060617

이름 더 보기

3,4-디클로로프탈로레인RARECHEM AL BW 0053TIMTEC-BB SBB003664Prochlorperazine Monomer3,4-Dichlorophenethanamine3,4-Dichlorobenzeneethanamine3,4-DICHLOROPHENETHYLAMINE 99%3,4-Dichlorophenethylamine ,99%3,4-Dichlorophenethylamine, 98%

CHEMBL1472302-(3,4,-Dichlorophenyl)Ethylamine42J3,4-dichloropenylethylamine3,4-dichlorobenzylmethylamineSCHEMBL184185SCHEMBL2214679SCHEMBL2991065

데이터베이스 식별자

CAS: 21581-45-3
PubChem CID: 217958
DTXSID: DTXSID60276921
ChEMBL: CHEMBL147230
ChEBI: CHEBI:232143
EC Number: 626-552-8
Nikkaji: J267.200F

물성

구조 계산 물성

XLogP: 3
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 119

물리화학적 성질

끓는 점: 280 °C · 280 °C(lit.)
밀도: 1.268 g/mL · 1.268 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5670(lit.)
인화점: 230 °F · >230 °F
물리적 상태: 액체
산도 계수 (pKa): 9.3 · 9.30±0.10(Predicted)
Specific Gravity: 1.28 · 1.28
색상: 무색투명~연황색
InChI: InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
InChIKey: MQPUAVYKVIHUJP-UHFFFAOYSA-N
SMILES: C1(CCN)=CC=C(Cl)C(Cl)=C1

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (93.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (93.2%)

안전 데이터

wgk: 3
ridadr: 2735
HS 번호: 29214990
risk_code: 36/37/38
hazard_code: Xi,T
safety_code: 26
위험 등급: IRRITANT, TOXIC
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도3,4-Dichlorophenethylamine may be used to synthesize N-(3′,4′-dichlorophenyl)ethyl-4-azahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecan-3-ol and 2-[2-(3,4-dichlorophenyl)ethylamino]-1-pyridin-3-ylethanol.

일반 설명3,4-Dichlorophenethylamine can be obtained by reacting 3,4-dichlorophenylacetonitrile with suspension of lithium aluminum hydride (LiAlH4) in dry diethyl ether in the presence of N2.