基本情報
- CAS
52888-80-9- 標準SMILES
CCCN(CCC)C(=O)SCc1ccccc1- InChIKey
NQLVQOSNDJXLKG-UHFFFAOYSA-N- 分子式
- C14H21NOS
- 平均分子量
- 251.39 g/mol
- 単同位体質量
- 251.13438547
概要
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.
名称と識別子
- 優先名称
- Prosulfocarb
- IUPAC
- S-benzyl N,N-dipropylcarbamothioate
- 現地名
- プロスルホカルブ標準品
- 英語名
- PROSULFOCARB
- 分子式
- C14H21NOS
- 分子量
- 251.39
名称と別名
Prosulfocarb52888-80-9ArkadeDefiBenzyl dipropylthiolcarbamateProsulfurocarb herbicideBoxer (ICI Agrochemicals)S-(Phenylmethyl) dipropylcarbamothioate8VCE6FU50DSC 0574R 15574DTXSID3058119
名称をさらに表示
プロスルホカルブ標準品CS_N-13918-10MG_プロスルホカルブプロスルホカルブプロスルホカルブ STANDARDプロスルホカルブ Standard, 100 µg/mL in Methanolジプロピルチオカルバミド酸S-ベンジルN,N-ジプロピルチオカルバミド酸S-ベンジルN,N-ジプロピル(ベンジルスルファニル)ホルムアミドアルカードN,N-ジプロピルチオカルバミン酸=S-ベンジルボクサーBOXERr15574SC0574SC-0574Prosulfocarb 97%Prosulfocarb Standard
CHEBI:81941RefChem:176635DTXCID6031887401-730-6S-Benzyl dipropylthiocarbamateProsulfocarb [ISO]S-benzyl N,N-dipropylcarbamothioateS-benzyl dipropylcarbamothioate
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 45.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 7
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 208
実験および物理化学的性質
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+]
物理化学的性質
- 融点
- 25 °C · 25°C
- 沸点
- 129 °C · 129 °C
- 比重(密度)
- 1.0696 · 1.0696 (rough estimate)
- 屈折率
- 1.75 · 1.7500 (estimate)
- 闪点
- 100 °C · 100 °C
- 貯蔵温度
- 2 · 2-8°C
- 酸解離定数(Pka)
- -1.22 · -1.22±0.70(Predicted)
- BRN
- 4804364 · 4804364
安全と法規制
GHS分類
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)
危険有害性情報
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.
化学と産業
用途と製造
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
応用分野
使用Prosulfocarb is a pesticide used in the protection of crops such as barley for its herbicidal activity.
上流・下流製品情報
上流原料
サプライヤー40 社
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]
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