基本情報
- CAS
3622-84-2- 標準SMILES
CCCCNS(=O)(=O)c1ccccc1- InChIKey
IPRJXAGUEGOFGG-UHFFFAOYSA-N- 分子式
- C10H15NO2S
- 平均分子量
- 213.3 g/mol
- 単同位体質量
- 213.08234989
概要
N-butylbenzenesulfonamide is a sulfonamide that is benzenesulfonamide substituted by a butyl group at the nitrogen atom. It has been isolated from the plant Prunus africana and has been shown to exhibit antiandrogenic activity. It has a role as a neurotoxin and a plant metabolite.
名称と識別子
- 優先名称
- N-Butylbenzenesulfonamide
- IUPAC
- N-butylbenzenesulfonamide
- 現地名
- N-ブチルベンゼンスルホンアミド
- 英語名
- N-n-Butyl benzene sulfonamide
- 分子式
- C10H15NO2S
- 分子量
- 213.3
名称と別名
N-BUTYLBENZENESULFONAMIDE3622-84-2Plastomoll BMBBenzenesulfonamide, N-butyl-N-BUTYL-BENZENESULFONAMIDEPlasthall BSADellatol BBSN-ButylbenzenesulphonamideCetamoll BMBBenzenesulfonic acid butyl amideBM 4 (sulfonamide)Uniplex 214
名称をさらに表示
N-ブチルベンゼンスルホンアミドN-(フェニルスルホニル)ブチルアミンベンゼンスルホニルＮｎブチルアミドN-ベンゼンスルホニルブチルアミンBBSAN-BBSAN-n-Butuniplex214cetamollbmbdellatolbbsPlasthal BSA
DTXSID7027540YO7UAW6717NSC-3536DTXCID907540CHEBI:44237222-823-6NBBSRefChem:829426
データベース識別子
- CAS
3622-84-2- PubChem CID
- 19241
- DTXSID
DTXSID7027540- ChEMBL
CHEMBL479880
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 54.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 5
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 237
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Sulfonamides
DrugsPharmaceuticals -> Listed in ZINC15
Polymers
Plastics -> Plasticisers
Plastics -> PUR; PA
PlasticizersPlasticizer
Physical Description
Liquid; Large Crystals; Other Solid
Colorless oily liquid with nearly no odor; [EPA ChAMP: Submission]
Collision Cross Section148.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7027540]
物理化学的性質
- 融点
- 83 °C · 83 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- 沸点
- 314 °C · 314 °C (lit.)
- 比重(密度)
- 1.15 g/mL · 1.15 g/mL at 25 °C (lit.)
- 蒸気圧
- 0.35 mm · 0.35 mm Hg ( 150 °C)
- 屈折率
- 20 · n20/D 1.525(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 15.9% (97 of 609) of reports.
Warning
H373 (78.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P273, P319, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 609 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Benzenesulfonamide, N-butyl-
Benzenesulfonamide, N-butyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonamide, N-butyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: N-butylbenzenesulphonamide (EC: 222-823-6)
Benzenesulfonamide, N-butyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Not an eye irritant in guinea pigs; Causes mild eye irritation in rabbits (classified by the EC as irritating); [IUCLID] A 28-day oral study of rats produced 100% mortality at the highest tested dose (1,000 mg/kg/day); Low frequency and severity of nerve fiber degeneration in the spinal cord and sciatic nerves, liver enlargement, hepatocyte hypertrophy, thymic atrophy at 150 mg/kg/day; No changes in functional performance observations, body weight/food consumption, or altered clinical biochemistry at 50 and 150 mg/kg/day (NOAEL of 50 mg/kg/day); [EPA ChAMP: Submission] Human inhalation of 3.7 mg/m3 causes conjunctive irritation and structural or functional changes in trachea or bronchi; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSTOT RE 2 (78.7%)
化学と産業
薬理情報
MeSH Pharmacological Classification
Toxic substances from microorganisms, plants or animals that interfere with the functions of the nervous system. Most venoms contain neurotoxic substances. Myotoxins are included in this concept.
Materials incorporated mechanically in plastics (usually PVC) to increase flexibility, workability or distensibility; due to the non-chemical inclusion, plasticizers leach out from the plastic and are found in body fluids and the general environment.
用途と製造
Uses
Used in the polymers and textile processing industries; Used as a plasticizer, smelting agent for moulding, and softener; [IUCLID] Used mainly as a plasticizer; [EPA ChAMP: Submission]
Textiles (Fiber & Fabric Manufacturing) [Category: Industry]
Plastics -> Typical concentration range in plastic materials -> 10.0 - 15.0%
N-Butyl benzenesulfonamide (NBBS), a plasticizer used commercially in the polymerization of polyamide compounds. It is neurotoxic and has been found to induce spastic myelopathy in rabbits.
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesPlasticizer
Industry UsesIntermediate
Use Classification
Plastics -> Polymer Type -> PUR; PA
Plastics -> Plasticisers
General Manufacturing Information
Adhesive Manufacturing
Benzenesulfonamide, N-butyl-: ACTIVE
応用分野
用途有機合成原料。
N-n-Butyl benzene sulfonamide is a kind of excellent polyamide resin & cellulose class of liquid plasticizer, mainly as a plasticizer to be used in nylon plastic, and also can be used for hot melt adhesives, rubber latex adhesives, printing ink and surface coating.
関連反応
2 件
化合物ノート
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