기본 정보
- CAS
27344-41-8- 표준 SMILES
O=S(=O)([O-])c1ccccc1C=Cc1ccc(-c2ccc(C=Cc3ccccc3S(=O)(=O)[O-])cc2)cc1.[Na+].[Na+]- InChIKey
PMPJQLCPEQFEJW-UHFFFAOYSA-L- 분자식
- C28H20Na2O6S2
- 평균 분자량
- 562.6 g/mol
- 단동위원소 질량
- 562.04966926
개요
See also: 4,4'-bis(2-sulfostyryl)biphenyl, disodium salt (annotation moved to).
이름 및 식별자
- 우선 이름
- Disodium distyrylbiphenyl disulfonate
- IUPAC
- disodium;2-[2-[4-[4-[2-(2-sulfonatophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonate
- 현지명
- 2,2'-((1,1'-비페닐)-4,4'-디일디-2,1-에텐디일)비스- 벤젠술폰 산 디나트륨 염
- 영어명
- Disodium 4,4'-bis(2-sulfostyryl)biphenyl
- 분자식
- C28H23NaO6S2
- 분자량
- 542.6
이름 및 동의어
DTXSID6036467Disodium 4,4'-bis(2-sulfostyryl)biphenylDTXCID401646781G7704MYROPTIBLANC SXRefChem:1083852Benzenesulfonic acid, 2,2'-((1,1'-biphenyl)-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2)disodium distyrylbiphenyl disulfonate27344-41-8Disodium 4,4'-Bis(2-sulfonatostyryl)biphenylMFCD00318874C28H20Na2O6S2
이름 더 보기
2,2'-((1,1'-비페닐)-4,4'-디일디-2,1-에텐디일)비스-벤젠술폰산디나트륨염2,2'-((1,1'-비페닐)-4,4'-디일디-2,1-에텐디일)비스-벤젠술폰산디나트륨염(2,2'-((...다이소듐다이스티릴바이페닐다이설포네이트Optical Brightener CBS-XSTILBENE 420fba351OPTICAL BRIGHTENER 3514,4'-BIS(2-SULFONATOSTYRYL)BIPHENYL DISODIUM SALTSTILBENE 3Brightener CBS-XOptical Brighter CBS-XFluorescent brightener 4BK
SCHEMBL183119CHEMBL3185170SCHEMBL29384434PMPJQLCPEQFEJW-UHFFFAOYSA-LAKOS0159623792,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-benzenesulfonic acid disodium saltdisodium;2-[2-[4-[4-[2-(2-sulfonatophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonateSY074633
데이터베이스 식별자
- CAS
27344-41-8- PubChem CID
- 33786
- DTXSID
DTXSID6036467- ChEMBL
CHEMBL3185170- EC Number
- 248-421-0
물성
구조 계산 물성
- 극성 표면적
- 131 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 852
실험 및 물리화학적 성질
Chemical ClassesDyes -> Carbocyanine Dyes
CosmeticsSurfactant; Viscosity controlling
Physical Description
Dry Powder; Other Solid; Liquid; Other Solid
Yellow odorless powder; [Exciton MSDS] 29-31% Aqueous solution: Yellow odorless slurry; [Ciba MSDS]
물리화학적 성질
- 녹는점
- 300 °C · >300°C (dec.)
- 밀도
- 1.414 · 1.414
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- DMSO(적게), 메탄올(약간), 물(약간)에 용해됨
- 물리적 상태
- 고체
- 색상
- 옅은 녹색에서 녹색으로
- 수용성
- 17.6 g/L · 17.6g/L at 20℃
- 화장품 원료 기능
- 자외선 흡수제계면활성제 - 세정점도 조절헤어 컨디셔닝
- InChIKey
- PMPJQLCPEQFEJW-HPKCLRQXSA-L
- SMILES
- C(C1C=CC(C2C=CC(C=CC3C=CC=CC=3S(O)(=O)=O)=CC=2)=CC=1)=CC1C=CC=CC=1S(O)(=O)=O.[NaH]
- LogP
- -2.32 at · -2.32 at 25℃
- EPA
- 4 · Disodium 4,4'-bis(2-sulfostyryl)biphenyl (27344-41-8)
화학적 성질
Greenish Yellow Solid
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 1.3% (7 of 549) of reports.
Danger
H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 549 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, disodium salt
Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2) 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: Disodium 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulphonate) (EC: 248-421-0)
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, disodium salt: Human health tier I assessment
Hazards Summary
Causes no skin and serious eye irritation in rabbits (classified by the EC as risk of serious damage to eyes); Not a skin sensitizer in guinea pigs; [IUCLID] Causes somnolence and dyspnea in inhalation lethal-concentration studies of rats; [RTECS] May cause transient eye irritation; Not a skin irritant or sensitizer; [Exciton MSDS] 29-31% Aqueous solution: An eye irritant; [Ciba MSDS]
Hazard Classes and CategoriesEye Dam. 1 (25%)
안전 및 보호
Protective Action Criteria (PAC)
2.6 [mg/m3]
29 [mg/m3]
170 [mg/m3]
독성 정보
Toxicity DataLC50 (rat) = 3,660 mg/m3/4hr
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 29049090
- safety_code
- 24/25
- 기존화학 물질
- KE-33862
화학 및 산업
용도 및 제조
UsesUsed as an optical brightener for detergents; [Ciba MSDS] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
U.S. Production2023: 2,500,000 - <4,000,000 lb
Consumer UsesBrightener
Industry UsesBrightener
Household Products
Information on 136 consumer products that contain Disodium Distyrylbiphenyl Disulfonate in the following categories is provided:
Information on 7 consumer products that contain Disodium distyrylbiphenyl disulfonate in the following categories is provided:
Use ClassificationCosmetics -> Surfactant; Viscosity controlling
General Manufacturing Information
Adhesive Manufacturing
Benzenesulfonic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-2,1-ethenediyl)bis-, sodium salt (1:2): ACTIVE
응용 분야
용도Disodium 4,4'-bis(2-sulfostyryl)biphenyl can be used as a fluorescent whitening agent used for household goods.
상·하류 제품 정보
상류 원료
공급사102 곳
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