(3,4-Dichlorophenoxy)acetic acid

HCID 11495CAS 588-22-7

기본 정보

표준 SMILES: O=C(O)COc1ccc(Cl)c(Cl)c1
InChIKey: SNYRXHULAWEECU-UHFFFAOYSA-N
분자식: C8H6Cl2O3
평균 분자량: 221.03 g/mol
단동위원소 질량: 219.96939941

개요

3,4-dichlorophenoxyacetic acid is a chlorophenoxyacetic acid that is phenoxyacetic acid in which the hydrogens at positions 3 and 4 of the phenyl group are replaced by chlorines. It has a role as a phenoxy herbicide.

이름 및 식별자

우선 이름: (3,4-Dichlorophenoxy)acetic acid
IUPAC: 2-(3,4-dichlorophenoxy)acetic acid
영어명: 3,4-D
분자식: C8H6Cl2O3
분자량: 221.04

이름 및 동의어

2-(3,4-dichlorophenoxy)acetic acid3,4-Dichlorophenoxyacetic acid588-22-7(3,4-Dichlorophenoxy)acetic acid3,4-DAZT6YT42EV4NSC-39017NSC-525057CHEBI:393747DTXSID70207524RefChem:91037DTXCID20130015

이름 더 보기

3,4-d (iso)3,4-D solutionLABOTEST-BB LT00233086Adrenaline Impurity 70(3,4-dichlorophenoxy)-aceticaci2-(3,4-dichlorophenoxy)ethanoic acid

209-612-43,4-DMFCD00004303NSC 39017Acetic acid, (3,4-dichlorophenoxy)-NSC 5250572-(3,4-dichlorophenoxy)aceticacidAcetic acid, 2-(3,4-dichlorophenoxy)-

데이터베이스 식별자

CAS: 588-22-7
PubChem CID: 11495
DTXSID: DTXSID70207524
ChEMBL: CHEMBL175414
ChEBI: CHEBI:393747
UNII: ZT6YT42EV4
EC Number: 209-612-4
Nikkaji: J6.747D

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 186

실험 및 물리화학적 성질

LogP2.81

물리화학적 성질

녹는점: 138 · 138-140 °C(lit.)
끓는 점: 316.96 °C · 316.96°C (rough estimate)
밀도: 1.4564 · 1.4564 (rough estimate)
굴절률: 1.5 · 1.5000 (estimate)
인화점: 2 °C · 2 °C
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 2.99 · 2.99±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
수용성: 457.6 mg/L · 457.6mg/L(25℃)
InChI: 1S/C8H6Cl2O3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey: SNYRXHULAWEECU-UHFFFAOYSA-N
SMILES: OC(=O)COc1ccc(Cl)c(Cl)c1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 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 CategoriesAcute Tox. 4 (15.2%)

안전 데이터

wgk: 3
rtecs: AG6830000
ridadr: 2811
HS 번호: 2918999090
risk_code: 36/37/38-36-20/21/22-11
hazard_code: Xi,Xn,F
safety_code: 26-37/39-36-16
포장분류: III
위험 등급: 6.1(b)
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3,4-Dichlorophenoxyacetic acid was used in the synthesis of layered organic-inorganic nanohybrid material, zinc-aluminum-3,4-dicholorophenoxyacetate.

일반 설명3,4-Dichlorophenoxyacetic acid is a phenoxyacetic herbicide.

상·하류 제품 정보

상류 원료

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

Aladdin Scientific[email protected]

추가 설명

정의ChEBI: A chlorophenoxyacetic acid that is phenoxyacetic acid in which the hydrogens at positions 3 and 4 of the phenyl group are replaced by chlorines.