디페닐설파이드

Diphenyl sulfide

HCID 8766CAS 139-66-2
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기본 정보

표준 SMILES
c1ccc(Sc2ccccc2)cc1
InChIKey
LTYMSROWYAPPGB-UHFFFAOYSA-N
분자식
C12H10S
평균 분자량
186.27 g/mol
단동위원소 질량
186.05032132

개요

Diphenyl sulfide is an aryl sulfide that consists of two phenyl groups connected by a sulphur atom.

이름 및 식별자

우선 이름
Diphenyl sulfide
IUPAC
phenylsulfanylbenzene
현지명
디페닐설파이드
영어명
Diphenyl sulfide
분자식
C12H10S
분자량
186.27

이름 및 동의어

Diphenyl sulfidePhenyl sulfide139-66-2Diphenyl sulphideBenzene, 1,1'-thiobis-Diphenyl thioetherDiphenylmercaptanPhenylthiobenzeneDiphenylthiamethaneDiphenyl monosulfideSulfide, diphenylDiphenylsulphide
이름 더 보기
디페닐설파이드페닐황화물페닐설파이드페닐설페이트페닐황화물페닐 설파이드diphenylsulfanephenyl thioetherDiphenyl sulphide 99%1,1’-Thiobis[benzene]C12H10SNSC 4568iphenylsulfideDiphenylsulfid
1,1'-Thiobis(benzene)1,1'-sulfanediyldibenzeneB5P3Y93MNRDTXSID8044383DTXCID6024383NSC-4568CHEBI:38959RefChem:588837

데이터베이스 식별자

CAS
139-66-2
PubChem CID
8766
DTXSID
DTXSID8044383
ChEMBL
CHEMBL219876
ChEBI
CHEBI:38959
UNII
B5P3Y93MNR
EC Number
205-371-4
Nikkaji
J2.023K

물성

구조 계산 물성

XLogP
4.5
극성 표면적
25.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
13

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.45
Physical DescriptionColorless nearly odorless liquid; [Merck Index] Unpleasant odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
-40 °C · -40 °C (lit.)
끓는 점
296 °C · 296 °C (lit.)
밀도
1.113 g/mL · 1.113 g/mL at 20 °C (lit.)
증기압
0.01 hPa · 0.01 hPa (25 °C)
굴절률
20 · n20/D 1.6327(lit.)
인화점
230 °F · >230 °F

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 191 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Benzene, 1,1'-thiobis-

Benzene, 1,1'-thiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-thiobis- 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)

Status: Active Update: 15-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22903

Diphenyl sulphide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA severe skin irritant; Causes changes in liver and bladder weights and effects on food intake in 13-week oral studies of rats; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Methyl phenyl sulfide.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
SX2275000
ridadr
UN 3082 9/PG 3
독성
LD50 orally in rats: 0.49 ml/kg (Smyth)
HS 번호
2930 90 98

화학 및 산업

용도 및 제조

U.S. Production2023: 70,548 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information · 2건

Agriculture, Forestry, Fishing and Hunting

Benzene, 1,1'-thiobis-: ACTIVE

응용 분야

용도Diphenyl Sulfide is an aromatic organosulfur compound. Diphenyl Sulfide is metabolite of the fungicide Edifenphos as well as a potential Impurity of Fenticonazole Nitrate (F279250).

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

추가 설명

정의ChEBI: An aryl sulfide that consists of two phenyl groups connected by a sulphur atom.

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