기본 정보
- CAS
52888-80-9- 표준 SMILES
CCCN(CCC)C(=O)SCc1ccccc1- InChIKey
NQLVQOSNDJXLKG-UHFFFAOYSA-N- 분자식
- C14H21NOS
- 평균 분자량
- 251.39 g/mol
- 단동위원소 질량
- 251.13438547
개요
Prosulfocarb is a monothiocarbamic ester that is carbamothioic S-acid substituted by two propyl groups at the nitrogen atom and a benzyl group at the the sulfur atom. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a member of benzenes and a monothiocarbamic ester.
이름 및 식별자
- 우선 이름
- Prosulfocarb
- IUPAC
- S-benzyl N,N-dipropylcarbamothioate
- 영어명
- PROSULFOCARB
- 분자식
- C14H21NOS
- 분자량
- 251.39
이름 및 동의어
Prosulfocarb52888-80-9ArkadeDefiBenzyl dipropylthiolcarbamateProsulfurocarb herbicideBoxer (ICI Agrochemicals)S-(Phenylmethyl) dipropylcarbamothioate8VCE6FU50DSC 0574R 15574DTXSID3058119
이름 더 보기
BOXERr15574SC0574SC-0574Prosulfocarb 97%Prosulfocarb Standard
CHEBI:81941RefChem:176635DTXCID6031887401-730-6S-Benzyl dipropylthiocarbamateProsulfocarb [ISO]S-benzyl N,N-dipropylcarbamothioateS-benzyl dipropylcarbamothioate
데이터베이스 식별자
- CAS
52888-80-9- PubChem CID
- 62020
- DTXSID
DTXSID3058119- ChEMBL
CHEMBL2251843- ChEBI
CHEBI:81941- UNII
- 8VCE6FU50D
- EC Number
- 401-730-6、634-871-9
- Nikkaji
- J1.581.749F
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 45.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 208
실험 및 물리화학적 성질
Pesticides
Herbicides
Active substance -> EU Pesticides database: Approved
Pesticides -> Herbicides, Other
Pesticide
Herbicides
Environmental transformation -> Pesticides (parent, predecessor)
LogP4.65
Vapor Pressure0.00000052 [mmHg]
Physical DescriptionColorless liquid; [Ullmann]
Collision Cross Section
156.95 Ų [M+H]+ [CCS Type: TW]
166.08 Ų [M+Na]+
159.69 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
물리화학적 성질
- 녹는점
- 25 °C · 25°C
- 끓는 점
- 129 °C · 129 °C
- 밀도
- 1.0696 · 1.0696 (rough estimate)
- 굴절률
- 1.75 · 1.7500 (estimate)
- 인화점
- 100 °C · 100 °C
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -1.22 · -1.22±0.70(Predicted)
- BRN
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Regulation (EC) No 396/2005 (amended)
2007/76/EC, Reg. (EU) 2018/1262, Reg. (EU) 2019/1589, Reg. (EU) 2020/1511, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/1757, Reg. (EU) No 540/2011
REACH registered substance: S-benzyl N,N-dipropylthiocarbamate (EC: 401-730-6)
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelClass 9
Fire HazardsExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Health HazardsExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Hazards SummaryToxic by ingestion; [Sax]
Reactive GroupThiocarbamate Esters and Salts/Dithiocarbamate Esters and Salts
Reactivity Profile
CARBAMOTHIOIC ACID, DIPROPYL-, S-(PHENYLMETHYL) ESTER is a thiocarbamate. Flammable gases are generated by the combination of thiocarbamates and dithiocarbamates with aldehydes, nitrides, and hydrides. Thiocarbamates and dithiocarbamates are incompatible with acids, peroxides, and acid halides.
화학 및 산업
용도 및 제조
Uses
A selective herbicide used to kill broad-leafed weeds in wheat, barley, and rye fields; [Ullmann]
Farming (Pesticides) [Category: Industry]
Use Classification
Environmental transformation -> Pesticides (parent, predecessor)
Herbicides
응용 분야
용도Prosulfocarb is a pesticide used in the protection of crops such as barley for its herbicidal activity.
상·하류 제품 정보
상류 원료
공급사40 곳
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…