기본 정보
- CAS
1142-19-4- 표준 SMILES
Clc1ccc(SSc2ccc(Cl)cc2)cc1- InChIKey
ZIXXRXGPBFMPFD-UHFFFAOYSA-N- 분자식
- C12H8Cl2S2
- 평균 분자량
- 287.2 g/mol
- 단동위원소 질량
- 285.944448
이름 및 식별자
- 우선 이름
- Bis(p-chlorophenyl)disulfide
- IUPAC
- 1-chloro-4-[(4-chlorophenyl)disulfanyl]benzene
- 영어명
- 4,4'-Dichlorodiphenyl disulfide
- 분자식
- C12H8Cl2S2
- 분자량
- 287.23
이름 및 동의어
1142-19-4Bis(4-chlorophenyl) disulfide4,4'-Dichlorodiphenyl disulfideDisulfide, bis(4-chlorophenyl)Di(p-chlorophenyl) disulfideDDDS (pesticide)Disulfide, bis(p-chlorophenyl)p-Chlorophenyl disulfide4-Chlorophenyl disulfideBis(p-chlorophenyl) disulfidep,p'-Dichlorodiphenyl disulfideBis(4-chlorophenyl) disulphide
이름 더 보기
1,2-Bis(4-chlorophenyl)disulfaneDDDSAURORA KA-6540ddds[pesticide]4,4'-DICHLORODIPHENY4,4'-Dichlorodiphenyl
BIS(P-CHLOROPHENYL)DISULFIDENSC 32025NSC 677444HSDB 2791EINECS 214-531-2NMT539C7LNNSC-32025AI3-16362
데이터베이스 식별자
- CAS
1142-19-4- PubChem CID
- 14360
- DTXSID
DTXSID7061562- ChEMBL
CHEMBL121019- UNII
- NMT539C7LN
- EC Number
- 214-531-2
- Nikkaji
- J7.277J
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 50.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 175
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Vapor Pressure0.00000364 [mmHg]
Physical DescriptionInsoluble in water; [ChemIDplus] Yellow crystalline flakes; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 71 · 71-74 °C(lit.)
- 끓는 점
- 180 °C · 180 °C / 2mmHg
- 밀도
- 1.304 g/cm3 · 1.304 g/cm3(Temp: 102.3 °C)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- 고체
- 색상
- 연노랑
- BRN
- 1644663 · 1644663
- InChI
- InChI=1S/C12H8Cl2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
- InChIKey
- ZIXXRXGPBFMPFD-UHFFFAOYSA-N
- SMILES
- S(C1=CC=C(Cl)C=C1)SC1=CC=C(Cl)C=C1
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 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryEmergency treatment: Mustard gas; Impure sulfur mustard is called H; Distilled sulfur mustard is called HD; [HSDB] May cause irritation; [Alfa Aesar MSDS] See Bis(2-chloroethyl)sulfide.
안전 및 보호
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- JO0766000
- 독성
- mouse,LD50,oral,> 3gm/kg (3000mg/kg),"Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 65, 1969.
- HS 번호
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
화학 및 산업
용도 및 제조
General Manufacturing Information
Disulfide, bis(4-chlorophenyl): INACTIVE
TESTED AS ASCARICIDE, BUT NEVER MARKETED
응용 분야
용도Bis(4-chlorophenyl) disulfide may be used to synthesize non-symmetrical heterodimer 4-chlorophenyl-2′-nitrophenyl disulfide.
일반 설명Bis(4-chlorophenyl) disulphide can be synthesized from 4-chlorophenylthiol via oxidation. It produces poly(p-phenylene sulfide), via thermolysis. Bis(4-chlorophenyl) disulfide can also be prepared by a microwave assisted method involving the reaction between respective elemental sulfur and 1-chloro-4-iodobenzene in the presence of CuO nanopowder (catalyst).
상·하류 제품 정보
상류 원료
관련 반응
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