Isocarbophos

HCID 90479CAS 24353-61-5
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기본 정보

표준 SMILES
COP(N)(=S)Oc1ccccc1C(=O)OC(C)C
InChIKey
YFVOXLJXJBQDEF-UHFFFAOYSA-N
분자식
C11H16NO4PS
평균 분자량
289.29 g/mol
단동위원소 질량
289.05376562

개요

Isocarbophos is an organothiophosphate insecticide, a member of salicylates, an isopropyl ester, an organic phosphonate and a phosphonic ester. It has a role as an agrochemical, an avicide and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to an isopropyl salicylate.

이름 및 식별자

우선 이름
Isocarbophos
IUPAC
propan-2-yl 2-[amino(methoxy)phosphinothioyl]oxybenzoate
영어명
Isocarbophos
분자식
C11H16NO4PS
분자량
289.29

이름 및 동의어

Isocarbophos24353-61-5OptunalIsopropyl 2-((aminomethoxyphosphinothioyl)oxy)benzoateDTXSID7042063O-Methylphosphoramidothioate, O-ester with isopropyl salicylate7741NPW06XO-Methyl phosphoramidothioate, O-ester with isopropyl salicylateBenzoic acid, 2-((aminomethoxyphosphinothioyl)oxy)-, 1-methylethyl esterDTXCID5022063CHEBI:38704Salicylic acid, isopropyl ester, ester with O-methyl phosphoramidothioate
이름 더 보기
bay93820ai3-27659Bayer 93820isocarbofos (bsi)Isocarbophos TECHDiazinon Impurity 7isocarbophos solution
Isopropyl salicylate O-ester with O-methylphosphoramidothioatepropan-2-yl 2-{[amino(methoxy)phosphorothioyl]oxy}benzoateBenzoic acid, 2-[(aminomethoxyphosphinothioyl)oxy]-, 1-methylethyl esterpropan-2-yl 2-((amino(methoxy)phosphorothioyl)oxy)benzoateRefChem:791686O-2-isopropoxycarbonylphenyl O-methyl phosphoramidothioate246-192-1Isocarbofos

데이터베이스 식별자

CAS
24353-61-5
PubChem CID
90479
DTXSID
DTXSID7042063
ChEMBL
CHEMBL3185588
ChEBI
CHEBI:38704
UNII
7741NPW06X
EC Number
246-192-1
Nikkaji
J1.786.837C

물성

구조 계산 물성

XLogP
2.4
극성 표면적
103 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
18

실험 및 물리화학적 성질

PesticidesPesticide (Isocarbophos) -> USDA PDB
LogP2.7
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section168.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7042063]

물리화학적 성질

녹는점
45 · 45~49℃
끓는 점
385.1 · 385.1±44.0 °C(Predicted)
밀도
1.275 · 1.275±0.06 g/cm3(Predicted)
인화점
4 °C · 4 °C
저장 조건
2 · 2-8°C
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (100%)

안전 데이터

wgk
3
rtecs
VO4395900
ridadr
UN 1294
독성
bird - wild,LD50,oral,750ug/kg (0.75mg/kg),Toxicology and Applied Pharmacology. Vol. 26, Pg. 154, 1973.
risk_code
11-38-48/20-63-65-67-25-21
hazard_code
F;Xn,Xn,F,T

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationPesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.

응용 분야

용도Isocarbophos is an organophosphorus pesticide residue found in spicy foods and nuts.

상·하류 제품 정보

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