프로디아민

Prodiamine

HCID 34469CAS 29091-21-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]
InChIKey: RSVPPPHXAASNOL-UHFFFAOYSA-N
분자식: C13H17F3N4O4
평균 분자량: 350.29 g/mol
단동위원소 질량: 350.12018952

이름 및 식별자

우선 이름: Prodiamine
IUPAC: 2,4-dinitro-3-N,3-N-dipropyl-6-(trifluoromethyl)benzene-1,3-diamine
현지명: 프로디아민
영어명: Prodiamine
분자식: C13H17F3N4O4
분자량: 350.29

이름 및 동의어

Prodiamine29091-21-2Prodiamine [ISO]DTXSID1034210IJI5J414Q62,4-Dinitro-N',N'-dipropyl-6-(trifluoromethyl)benzene-1,3-diaminePRODIAMINE [MI]PRO-MATE BARRICADEDTXCID90142102,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)benzene-1,3-diamine1,3-Benzenediamine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-Benzenediamine, 2,6-dinitro-N1,N1-dipropyl-4-(trifluoromethyl)-

이름 더 보기

프로다이아민프로디아민프로다이아민(PRODIAMINE)MarathonBARRICADEBarricade(tm)65%Procymidone

RefChem:8685515-dipropylamino-alpha-,alpha-,alpha--trifluoro-4,6-dinitro-o-toluidine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-1,3-benzenediamineRydexBlockadeUSB-3153CN-11-2936EnduranceKusablock

데이터베이스 식별자

CAS: 29091-21-2
PubChem CID: 34469
DTXSID: DTXSID1034210
ChEMBL: CHEMBL1223140
ChEBI: CHEBI:82032
UNII: IJI5J414Q6
EC Number: 249-421-3
Nikkaji: J53.767E

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 121 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 9
회전 가능 결합 수: 5
무거운 원자 수: 24
형식 전하: 0
복잡도: 446

실험 및 물리화학적 성질

Kovats Retention Index1952；1941

Collision Cross Section171.1 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID1034210]

물리화학적 성질

녹는점: 124 · 124-125°
끓는 점: 433 · 433.0±45.0 °C(Predicted)
밀도: 1.47 · 1.4700
인화점: -18 °C · -18 °C
저장 조건: 0 · 0-6°C
산도 계수 (pKa): -1.4 · -1.40±0.50(Predicted)
BRN: 2494213 · 2494213
Henry's Law Constant: 1.3 · 1.3×100 mol/(m3Pa) at 25℃, Ebert et al. (2023)
NIST: 1 · 1,3-Benzenediamine, 2,4-dinitro-n3,n3-dipropyl-6-(trifluoromethyl)-(29091-21-2)
EPA: Prodiamine (29091-21-2)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H332 (58.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P271, P273, P304+P340, P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

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

Other Safety InformationIMAP assessments - 1,3-Benzenediamine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-: Human health tier I assessment；IMAP assessments - 1,3-Benzenediamine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-: Environment tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (58.2%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

독성 정보

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

RAIS Toxicity Values · 2건

0.14000000000000001

OPP

EPA Human Health Benchmarks for Pesticides · 5건

Prodiamine

0.14

830

General Population

Human Health Benchmarks for Pesticides - 2021 Update

규제 정보

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