기본 정보
- CAS
3622-84-2- 표준 SMILES
CCCCNS(=O)(=O)c1ccccc1- InChIKey
IPRJXAGUEGOFGG-UHFFFAOYSA-N- 분자식
- C10H15NO2S
- 평균 분자량
- 213.3 g/mol
- 단동위원소 질량
- 213.08234989
개요
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.
이름 및 식별자
- 우선 이름
- N-Butylbenzenesulfonamide
- IUPAC
- N-butylbenzenesulfonamide
- 현지명
- 부틸벤젠술폰아미드
- 영어명
- N-n-Butyl benzene sulfonamide
- 분자식
- C10H15NO2S
- 분자량
- 213.3
이름 및 동의어
N-BUTYLBENZENESULFONAMIDE3622-84-2Plastomoll BMBBenzenesulfonamide, N-butyl-N-BUTYL-BENZENESULFONAMIDEPlasthall BSADellatol BBSN-ButylbenzenesulphonamideCetamoll BMBBenzenesulfonic acid butyl amideBM 4 (sulfonamide)Uniplex 214
이름 더 보기
N-뷰틸벤젠설폰아마이드부틸벤젠술폰아미드BBSAN-BBSAN-n-Butuniplex214cetamollbmbdellatolbbsPlasthal BSA
DTXSID7027540YO7UAW6717NSC-3536DTXCID907540CHEBI:44237222-823-6NBBSRefChem:829426
데이터베이스 식별자
- CAS
3622-84-2- PubChem CID
- 19241
- DTXSID
DTXSID7027540- ChEMBL
CHEMBL479880- ChEBI
CHEBI:44237- UNII
- YO7UAW6717
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 54.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 237
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- 83 °C · 83 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- 끓는 점
- 314 °C · 314 °C (lit.)
- 밀도
- 1.15 g/mL · 1.15 g/mL at 25 °C (lit.)
- 증기압
- 0.35 mm · 0.35 mm Hg ( 150 °C)
- 굴절률
- 20 · n20/D 1.525(lit.)
- 인화점
- 230 °F · >230 °F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
화학 및 산업
약리 정보
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.
용도 및 제조
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
응용 분야
용도N-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.
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