2,4-Dichlorophenylacetic acid (HCID 88209)

이름 및 식별자

우선 이름: 2,4-Dichlorophenylacetic acid
IUPAC: 2-(2,4-dichlorophenyl)acetic acid
영어명: 2,4-Dichlorophenylacetic acid
분자식: C8H6Cl2O2
분자량: 205.04

이름 및 동의어

2,4-Dichlorophenylacetic acid19719-28-92-(2,4-dichlorophenyl)acetic acidBenzeneacetic acid, 2,4-dichloro-DTXSID4041363UNII-15N730ND47EINECS 243-248-7NSC 54853NSC-5485315N730ND472,4-DICHLOROBENZENEACETIC ACIDDTXCID2021363

이름 더 보기

DCAA2,4-DCPA2,4-dcaa acid2.4-DichlorophRARECHEM AL BO 0113TIMTEC-BB SBB003502LABOTEST-BB LT00454968Guanfacine Impurity 152,4-dcaa acid spike mix

EC 243-248-7DICHLOROPHENYLACETIC ACID, 2,4-ACETIC ACID, (2,4-DICHLOROPHENYL)-RefChem:82395243-248-7GXMWLJKTGBZMBH-UHFFFAOYSA-NInChI=1/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12(2,4-dichlorophenyl)acetic acid

데이터베이스 식별자

CAS: 19719-28-9
PubChem CID: 88209
DTXSID: DTXSID4041363
ChEMBL: CHEMBL3185822
UNII: 15N730ND47
EC Number: 243-248-7
Nikkaji: J43.084F

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 129 · 129-131 °C (lit.)
끓는 점: 294.45 °C · 294.45°C (rough estimate)
밀도: 1.3806 · 1.3806 (rough estimate)
굴절률: 1.549 · 1.5490 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 0.1 g/mL, · 메탄올: 0.1 g/mL, 투명
산도 계수 (pKa): 3.92 · 3.92±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 연한 노란색-베이지색
수용성: 뜨거운 물에 용해됨
BRN: 1948767 · 1948767
InChI: 1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChIKey: GXMWLJKTGBZMBH-UHFFFAOYSA-N
SMILES: OC(=O)Cc1ccc(Cl)cc1Cl
LogP: -0.3 · -0.3-2.8 at 23℃ and pH2-7
NIST: 2 · 2,4-Dichlorophenylacetic acid(19719-28-9)
EPA: 2 · 2,4-Dichlorophenylacetic acid (19719-28-9)

화학적 성질

white to pale yellowish-beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (98.8%): 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 80 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzeneacetic acid, 2,4-dichloro-

Status: Active Update: 11-08-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11714

Hazard Classes and CategoriesSkin Irrit. 2 (98.8%)

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38-67
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2,4-Dichlorophenylacetic acid has been used as internal standard in:determination of phenoxyalkanoic acid herbicides in blood by GC with electron-capture detectiondetermination of 2-methyl-4-chlorophenoxyacetic acid (herbicide) in soils by GC technique