기본 정보
- CAS
121-65-3- 표준 SMILES
CCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1- InChIKey
KWXICGTUELOLSQ-UHFFFAOYSA-N- 분자식
- C18H30O3S
- 평균 분자량
- 326.5 g/mol
- 단동위원소 질량
- 326.19156582
개요
4-dodecylbenzenesulfonic acid is a member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 4 of the phenyl ring is substituted by a dodecyl group.
이름 및 식별자
- 우선 이름
- p-Dodecylbenzenesulfonic acid
- IUPAC
- 4-dodecylbenzenesulfonic acid
- 영어명
- Dodecylbenzenesulfonic acid
- 분자식
- C18H30O3S
- 분자량
- 326.49
이름 및 동의어
4-DODECYLBENZENESULFONIC ACID121-65-3p-dodecylbenzenesulfonic acidBenzenesulfonic acid, 4-dodecyl-4-Dodecylbenzene-1-sulfonic aciddodecyl benzenesulfonic acidp-Dodecylbenzenesulphonic acidOC21S23N1OEINECS 204-489-3DTXSID8050443CHEBI:149776NSC-85535
이름 더 보기
DDBSANSC 85535NAXEL AAS-98SALKYLARYLSULFONIC ACIDALKYLBENZENESULFONIC ACIDp-Dodecylbenzolsulfonsaure4-dodecyl-benzenesulfonicaciN-DODECYLBENZENESULFONIC ACID
BENZENESULFONIC ACID, P-DODECYL-RefChem:858061DTXCID8029812MFCD00066677Dodecylbenzenesulfonic Acid (mixture of isomers) (Technical Grade)UNII-OC21S23N1ONCIOpen2_009334NCIOpen2_009442
데이터베이스 식별자
- CAS
121-65-3、27176-87-0- PubChem CID
- 8485
- DTXSID
DTXSID8050443- ChEMBL
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 62.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 351
실험 및 물리화학적 성질
SpringerMaterials PropertiesBoiling point
DensityRelative density (water = 1): 1
SolubilitySolubility in water: very good
Flash Point148.9 °C o.c.
Decomposition>204.5 °C
Melting Point10 °C
Physical DescriptionYELLOW-TO-BROWN LIQUID.
물리화학적 성질
- 끓는 점
- 82 °C · 82 °C
- 밀도
- 1.06 g/mL · 1.06 g/mL at 20 °C (lit.)
- 굴절률
- 20 · n20/D 1.51
- 인화점
- 85 °F · 85 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 물, 알코올, 글리콜 에테르, 글리콜, 에스테르, 케톤, 방향족 및 지방족 탄화수소: 수용성
- 산도 계수 (pKa)
- -0.45 · -0.45±0.50(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: Benzenesulfonic acid, 4-dodecyl-
Benzenesulfonic acid, 4-dodecyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Linear alkylbenzenesulfonic acids (C10-C16): Human health tier II assessment
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
UN ClassificationUN Hazard Class: 8; UN Pack Group: III
Chemical DangersDecomposes above 205 °C . This produces toxic fumes including sulfur oxides and hydrogen sulfide. Reacts with bases and oxidants. This produces sulfur oxides. This generates toxic hazard. Attacks metals.
Packaging and LabellingDo not transport with food and feedstuffs.
Hazard Classes and Categories
Acute Tox. 4 (90%)
Acute toxicity - category 4
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Household ProductsInformation on 3 consumer products that contain p-Dodecylbenzenesulfonic acid in the following categories is provided:
General Manufacturing InformationBenzenesulfonic acid, 4-dodecyl-: ACTIVE
응용 분야
용도4-Dodecylbenzenesulfonic acid (p-dodecylbenzenesulfonic acid, DBSA) may be used:As a solvent for the synthesis of 2-(1,5-diaryl-1,4-pentadien-3-ylidene)-hydrazinecarboximidamide hydrochlorides.In situ coating of rutile nanoparticles.As a stabilizer in the preparation of colloidal CdS.In the fabrication of solid-state dye-sensitized solar cells (DSSCs).
일반 설명4-Dodecylbenzenesulfonic acid (DBSA) is an alkyl sulfonate. It participates in the preparation of a polymer along with polystyrene-block-poly(4-vinylpyridine) and a comb-coil A-block-(B-graft-C) type of copolymer.
상·하류 제품 정보
하류 제품
공급사64 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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