퀴네메라크

Quinmerac

HCID 91749CAS 90717-03-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1cnc2c(C(=O)O)c(Cl)ccc2c1
InChIKey
ALZOLUNSQWINIR-UHFFFAOYSA-N
분자식
C11H8ClNO2
평균 분자량
221.64 g/mol
단동위원소 질량
221.02435618

개요

Quinmerac is a quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid carrying additional methyl and chloro substituents at positions 3 and 7 respectively. A residual herbicide used to control broad-leaved weeds on a range of crops including cereals, rape and beet. It has a role as a herbicide, a synthetic auxin and an environmental contaminant. It is a quinolinemonocarboxylic acid and an organochlorine compound.

이름 및 식별자

우선 이름
Quinmerac
IUPAC
7-chloro-3-methylquinoline-8-carboxylic acid
현지명
퀴네메라크
영어명
QUINMERAC
분자식
C11H8ClNO2
분자량
221.64

이름 및 동의어

Quinmerac90717-03-67-Chloro-3-methylquinoline-8-carboxylic acid7-Chloro-3-methyl-8-quinolinecarboxylic acidBAS 5187-Chloro-3-methyl-quinoline-8-carboxylic acidDTXSID10423640OFY83UPMHDTXCID9022364CHEBI:84199BAS-518RefChem:178217
이름 더 보기
퀴네메라크bas518FIESTAGAVELANBAS113Wbas518hbas51802hBUTISAN STAR7-Chloro-3-Methyl-C16708000 Quinmerac
402-790-6618-627-98-Quinolinecarboxylic acid, 7-chloro-3-methyl-MFCD00145199BAS 518HQuinmerac [ISO:BSI]BAS 51802HQuinmerac [ISO]

데이터베이스 식별자

CAS
90717-03-6
PubChem CID
91749
DTXSID
DTXSID1042364
ChEMBL
CHEMBL2448918
ChEBI
CHEBI:84199
UNII
0OFY83UPMH
EC Number
402-790-6、618-627-9
Nikkaji
J661.713A

물성

구조 계산 물성

XLogP
2.7
극성 표면적
50.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
15

실험 및 물리화학적 성질

Pesticides · 3건

Herbicides

Active substance -> EU Pesticides database: Approved

Herbicides

Dissociation Constants3.96
Collision Cross Section158.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1042364]

물리화학적 성질

녹는점
244 °C · 244°C
끓는 점
416 · 416.0±40.0 °C(Predicted)
밀도
1.406 · 1.406±0.06 g/cm3(Predicted)
저장 조건
Room Temperature, under inert atmosphere
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨, 초음파처리)
산도 계수 (pKa)
-2.84 · -2.84±0.10(Predicted)

화학적 성질

Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

H412 (99.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 171 reports by companies from 5 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 100% (8 of 8) of all reports.

Not Classified

Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Commission Regulation (EC) No 1490/2002

2010/89/EU, Reg. (EU) 2020/2007, Reg. (EU) 2024/1206 , Reg. (EU) No 2018/1260, Reg. (EU) No 540/2011

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/5022

Hazard Classes and Categories · 2건

Not Classified

Aquatic Chronic 3 (99.4%)

안전 데이터

wgk
2
rtecs
VB1981800
독성
LD50 in rats (mg/kg): >5000 orally, >2000 dermally (Wuerzer)
HS 번호
29333990
hazard_code
T
기존화학 물질
2000-3-1621

화학 및 산업

용도 및 제조

Use ClassificationHerbicides

상·하류 제품 정보

공급사50 곳

上海蓝鲲医药科技有限公司18616122638 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
추가 설명 · 1건

정의ChEBI: A quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid carrying additional methyl and chloro substituents at positions 3 and 7 respectively. A residual herbicide used to control broad-leaved weeds on a range of crops including cereals, rape and beet.

관련 반응

4건
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