기본 정보
- 표준 SMILES
CC(=O)O.CC(=O)O.CC(=O)O.NC(N)=NCCCCCCCCNCCCCCCCCN=C(N)N- InChIKey
FKWDSATZSMJRLC-UHFFFAOYSA-N- 분자식
- C24H53N7O6
- 평균 분자량
- 535.7 g/mol
- 단동위원소 질량
- 535.40573244
이름 및 식별자
- 우선 이름
- Iminoctadine Triacetate
- IUPAC
- acetic acid;2-[8-[8-(diaminomethylideneamino)octylamino]octyl]guanidine
- 영어명
- IMINOCTADINE TRIACETATE
- 분자식
- C24H53N7O6
- 분자량
- 535.72
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
39202-40-9、57520-17-9- PubChem CID
- 162366
- ChEBI
CHEBI:81837- UNII
- 1FTU5HTW7L
- EC Number
- 254-351-1、691-747-7
물성
구조 계산 물성
- 극성 표면적
- 253 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 333
물리화학적 성질
- 증기압
- -3 Pa · -3 Pa (23 °C)
- 저장 조건
- 0 · 0-6°C
- 산도 계수 (pKa)
- 9 · >9, >13, >13 (strong base)
- 수용성
- 764 · 764,000mg l-1(25°C)
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H411 (97.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P280, P301+P316, P302+P352, P317, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
Hazard Classes and Categories
Acute Tox. 3 (100%);Acute Tox. 4 (100%);Aquatic Chronic 2 (97.4%)
Hazardous to the aquatic environment (Acute) - Category 1;Hazardous to the aquatic environment (Long-term) - Category 1
Acute toxicity (Oral) - Category 3;Acute toxicity (Dermal) - Category 4;Acute toxicity (Inhalation: Dusts and mists) - Category 1;Carcinogenicity - Category 2;Reproductive toxicity - Category 1B;Specific target organ toxicity - Single exposure - Category 1 (respiratory organs), Category 3 (narcotic effects);Specific target organ toxicity - Repeated exposure - Category 1 (kidney, reproductive organs (male), liver)
안전 데이터
- ridadr
- 2588
- 포장분류
- I
- 위험 등급
- 6.1(a)
화학 및 산업
응용 분야
용도Iminoctadine triacetate is used as a seed treatment or spray for control of Septoriu nodorum, Tilletia caries, Fusarium spp. and Helminthosporium spp. in cereals. It is also used on citrus fruit and apples.
상·하류 제품 정보
상류 원료
공급사5 곳
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