CAS 67306-00-7 Fenpropidin (HCID 91694)

개요

1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine is a member of the class of piperidines that is N-isobutylpiperidine in which a hydrogen of one of the methyl groups is replaced by a p-tert-butylphenyl group. It is a member of piperidines and a tertiary amine.

이름 및 식별자

우선 이름: Fenpropidin
IUPAC: 1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine
영어명: Fenpropidin
분자식: C19H31N
분자량: 273.46

이름 및 동의어

Fenpropidin67306-00-7PatrolFenpropidine1-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)piperidineRo 12-3049DTXSID9058157845XW54F31Piperidine, 1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]piperidinePiperidine, 1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]-1-(2-((4-tert-butylphenyl)methyl)propyl)piperidine

이름 더 보기

TERNSPONSORCOLUMBIAro12-3049cga114900FenproidinBrn 1245248

1-{2-[(4-tert-butylphenyl)methyl]propyl}piperidineRefChem:140199DTXCID5031925CHEBI:819171-(2-methyl-3-(4-(2-methyl-2-propanyl)phenyl)propyl)piperidine1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine1-(3-(4-tert-Butylphenyl)-2-methylpropyl)piperidine1-(3-(4-(tert-butyl)phenyl)-2-methylpropyl)piperidine

데이터베이스 식별자

CAS: 67306-00-7
PubChem CID: 91694
DTXSID: DTXSID9058157
ChEMBL: CHEMBL1889041
ChEBI: CHEBI:83291
UNII: 845XW54F31
EC Number: 614-049-6
Nikkaji: J18.832H

물성

구조 계산 물성

XLogP: 5.5
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 264

실험 및 물리화학적 성질

Pesticides · 5건

Fungicides

Active substance -> EU Pesticides database: Approved

Environmental transformation -> Pesticides (parent, predecessor)

Fungicides

Pesticide (Fenpropidin) -> USDA PDB

Human DrugsPharmaceuticals

Collision Cross Section166.39 Å² [M+H]+ [CCS Type: TW]

물리화학적 성질

녹는점: 25 °C · 25°C
끓는 점: 0.2 · bp0.2 117°; bp0.045 125°; bp0.032 104°
밀도: 0.9112 · 0.9112 (rough estimate)
증기압: 1.7 x · 1.7 x 10-2 Pa (25 °C)
굴절률: 1.49 · 1.4900 (estimate)
저장 조건: Refrigerator
용해도: 에 용해됨클로로포름, 아세트산에틸 (약간 용해됨)
물리적 상태: Liquid
산도 계수 (pKa): 10.1 · 10.1
수용성: 530 mg · 530mg l-1(25°C에서 pH 7)
색상: 투명 무색
Merck: 13 · 13,4020
BRN: 5336091 · 5336091
Henry's Law Constant: 7.1 · 7.1×102 mol/(m3Pa) at 25℃, Feigenbrugel and Calvé (2021)
주요 응용: 농업환경
InChI: 1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
InChIKey: MGNFYQILYYYUBS-UHFFFAOYSA-N
SMILES: CC(CN1CCCCC1)Cc2ccc(cc2)C(C)(C)C
NIST: Fenpropidin(67306-00-7)
EPA: 1 · Piperidine, 1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]- (67306-00-7)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Danger

H302+H332 (26.6%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 4건

Commission Regulation (EC) No 1490/2002

Fenpropidin is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

2008/66, Reg. (EU) 2018/1796, Reg. (EU) 2019/1589, Reg. (EU) 2020/1511, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011

Fenpropidin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2건

Acute Tox. 4 (100%)

Repr. 2

독성 정보

RAIS Toxicity Values · 4건

0.07

OPP

0.023

OPP

EPA Human Health Benchmarks for Pesticides · 6건

Fenpropidin

0.07

500

Children

0.023

140

안전 데이터

wgk: 3
rtecs: TM7292000
ridadr: 2902
HS 번호: 29333990
risk_code: 21/22-36
hazard_code: Xn
safety_code: 26-36/37
포장분류: III
위험 등급: 6.1(b)
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Sens. 1BSTOT RE 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationChemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.

용도 및 제조

Use Classification · 3건

Environmental transformation -> Pesticides (parent, predecessor)

Fungicides

Pharmaceuticals

응용 분야

개요fenpropidine, a piperidine derivative, and spiroxamine, a dioxolanemethyleneamine derivative introduced in 1996 , belong to the same group of fungicides.

용도Fenpropidin is both a contact and a systemic fungicide which provides effective eradicant control of powdery mildew, rusts and leaf blotch in cereal.

공급사52 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

추가 설명

정의ChEBI: A member of the class of piperidines that is N-isobutylpiperidine in which a hydrogen of one of the methyl groups is replaced by a p-tert-butylphenyl group.