Diphenyl disulfide (HCID 13436)

개요

Diphenyl disulfide is a member of benzenes.

이름 및 식별자

우선 이름: Diphenyl disulfide
IUPAC: (phenyldisulfanyl)benzene
영어명: Diphenyl disulfide
분자식: C12H10S2
분자량: 218.34

이름 및 동의어

DIPHENYL DISULFIDEPhenyl disulfide882-33-7(Phenyldisulfanyl)benzeneDisulfide, diphenylDiphenyl disulphideBiphenyl disulfidePhenyldithiobenzeneDisulfide diphenylFEMA No. 3225DTXSID6022131NSC-2689

이름 더 보기

FEMA 3225PHENYL DISULPHIDEDiphenyl disulfide ,99%Nelfinavir Related CoMpound Eusafe-1AKOS 94361

7P54H519IJDTXCID702131RefChem:588825212-926-41,2-diphenyldisulfanediphenyldisulfideUSAF E-1Phenyldisulfide

데이터베이스 식별자

CAS: 882-33-7
PubChem CID: 13436
DTXSID: DTXSID6022131
ChEMBL: CHEMBL462861
ChEBI: CHEBI:174102
UNII: 7P54H519IJ
EC Number: 212-926-4
Nikkaji: J2.117B

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 50.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 128

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Sulfur Compounds

SpringerMaterials PropertiesBoiling point

LogP · 2건

4.41

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.353 (20 °C)

Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점: 58 · 58-60 °C (lit.)
끓는 점: 191 · 191-192 °C (15 mmHg)
밀도: 1.353 · 1.353
굴절률: 1 · 1,441-1,444
FEMA: 3225 · 3225 | PHENYL DISULFIDE
인화점: 310 °C · 310°C
저장 조건: Sealed in dry,Room Temperature
용해도: 3 %, · 자일렌: 가용성 3%, 투명, 무색~노란색
물리적 상태: 결정질 고체
색상: 흰색에서 황백색까지
Specific Gravity: 1.353 · 1.353
냄새: 0.1 % · 프로필렌 글리콜 중 0.10%. 유황 흙빛 탄
냄새 유형: 유황의
수용성: 물에 불용성.
JECFA Number: 578 · 578
BRN: 639794 · 639794
안정성: 안정적인. 강한 산화제, 강한 염기와 호환되지 않습니다.
InChI: 1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
InChIKey: GUUVPOWQJOLRAS-UHFFFAOYSA-N
SMILES: S(Sc1ccccc1)c2ccccc2
LogP: 4.41 · 4.41
NIST: Disulfide, diphenyl(882-33-7)
EPA: Diphenyl disulfide (882-33-7)

화학적 성질

White to light yellow crystal.

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 141 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

유해성 정보

Regulatory Information · 2건

Chemical: Disulfide, diphenyl

Disulfide, diphenyl: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Oral LD50 (female rat) > 300-2,000 mg/kg; Anemia and changes of the liver and kidney observed in repeated-dose oral study of rats at 30 mg/kg/day; No adverse effects on reproductive or developmental toxicity parameters seen at doses up to 30 mg/kg/day; No evidence of mutagenicity; [JECDB] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS] See Diallyl disulfide and Benzyl disulfide.

Hazard Classes and Categories · 2건

Skin Irrit. 2 (98.6%)

Acute toxicity (Oral) - Category 4

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: SS6825000
ridadr: UN 3335
HS 번호: 29093090
risk_code: 36/37/38-50/53
hazard_code: Xi,N
safety_code: 26-37/39-36-61-60
포장분류: III
위험 등급: IRRITANT, STENCH
기존화학 물질: KE-12062
F 고인화성물질: 13
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

UsesUsed as a reagent in organic synthesis; [Merck Index] Used as a flavoring agent; [FDA]

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationDisulfide, diphenyl: ACTIVE

응용 분야 · 2건

출처Naturally occurring phytoalexin-like substan

용도Diphenyl disulfide is one of the most popular organic disulfides used in organic synthesis. It is used as a reagent for the α-phenylsulfenylation of carbonyl compounds. It participates in hydrothiolation of alkynes via amine-mediated single electron transfer mechanism. It is the hydrolysis product of dyfonate.