2,4-Dichlorophenethylamine

HCID 142938CAS 52516-13-9

기본 정보

표준 SMILES: NCCc1ccc(Cl)cc1Cl
InChIKey: VHJKDOLGYMULOP-UHFFFAOYSA-N
분자식: C8H9Cl2N
평균 분자량: 190.07 g/mol
단동위원소 질량: 189.01120465

이름 및 식별자

우선 이름: 2,4-Dichlorophenethylamine
IUPAC: 2-(2,4-dichlorophenyl)ethanamine
영어명: 1-(2,4-Dichloro-phenyl)-ethylamine
분자식: C8H9Cl2N
분자량: 190.07

이름 및 동의어

2,4-Dichlorophenethylamine52516-13-9DTXSID30200516RefChem:443478DTXCID60123007628-892-22-(2,4-Dichlorophenyl)ethanamine2-(2,4-dichlorophenyl)ethan-1-amine2-(2,4-Dichlorophenyl)ethylamineMFCD00060611EN300-20264Benzeneethanamine, 2,4-dichloro-

이름 더 보기

1-(2,4-dichlorophenyl)ethan-1-aMineRARECHEM AL BW 0203TIMTEC-BB SBB0036662, 4-DICHLORO-A-PHENETHYLAMINE2,4-Dichloro-benzeneethanaMine2,4-Dichlorophenethylamine 98%2,4-Dichlorophenethylamine,98%

2,4-dichlorophenethyl amineSCHEMBL473578SCHEMBL1808579(2,4-Dichlorophenyl)ethylamineSCHEMBL297870882,4-Dichlorophenethylamine, 98%BDBM626086CCA51613

데이터베이스 식별자

CAS: 52516-13-9
PubChem CID: 142938
DTXSID: DTXSID30200516
EC Number: 628-892-2

물성

구조 계산 물성

XLogP: 2.5
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: 75 · 75-76 °C0.04 mm Hg(lit.)
밀도: 1.26 g/mL · 1.26 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5651(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 9.21 · 9.21±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.26 · 1.26
색상: 무색~황색으로 투명함
InChI: 1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
InChIKey: VHJKDOLGYMULOP-UHFFFAOYSA-N
SMILES: NCCc1ccc(Cl)cc1Cl

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (95.3%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (95.3%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi,T
safety_code: 26-37/39
위험 등급: IRRITANT, TOXIC
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2,4-Dichlorophenethylamine may be used in the synthesis of cis-(L-Arginyl)amino-N-(2,4-dichlorophenylmethyl)-L-proline 2,4-dichlorophenethylamide. It may be used in the synthesis of various N-alkylglycine.