Lawesson's reagent (HCID 87949)

이름 및 식별자

우선 이름: Lawesson's reagent
IUPAC: 2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane
현지명: Lawesson 시약
영어명: Lawesson's Reagent
분자식: C14H14O2P2S4
분자량: 404.47

이름 및 동의어

Lawesson's reagent19172-47-51,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfideP-Anisyldithiophosphonic anhydrideA4125MQ8RXNSC-150550DTXSID4066460RefChem:798662DTXCID8036023242-855-4Lawesson reagent2,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide

이름 더 보기

Lawesson시약Lawesson의 시약LawessonLR2,4-BIS(4-METHOXYPHENYL)-1,3-DITHIA-2,4-DIPHOSPHETANE-2,4-DISULFIDELawesson'sLawesson`s reagentsulfide dimer4-Methoxyphenylthiophosphoric cyclic di(thioanhydride), LR, 2,4-Bis(4-methoxyphenyl)-2,4-dithioxo-1,3,2,4-dithiadiphosphetane, 2,4-Bis-(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane 2,4-disulfide

Lawessons reagentLawesson' reagentC14H14O2P2S42,4-Bis(4-methoxyphenyl)-2,4-dithioxo-1,3,2,4-dithiadiphosphetane2,4-Bis(4-methoxyphenyl)-1,3-dithia-2,4-diphosphetane 2,4-disulfideMFCD000051712,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfideNSC150550

데이터베이스 식별자

CAS: 19172-47-5
PubChem CID: 87949
DTXSID: DTXSID4066460
UNII: A4125MQ8RX
EC Number: 242-855-4
Nikkaji: J208.098B、J323.927F

물성

구조 계산 물성

XLogP: 6.1
극성 표면적: 133 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 425

실험 및 물리화학적 성질

Physical DescriptionOff-white, light yellow, or light brown powder with a stench; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 228 · 228-230 °C(lit.)
끓는 점: 525.8 · 525.8±60.0 °C(Predicted)
밀도: 1.48 · 1.48±0.1 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름(약간 용해됨)
물리적 상태: 가루
색상: 흰색에서 거의 흰색
수용성: 분해
Merck: 14 · 14,5391
BRN: 1024888 · 1024888
InChI: InChI=1S/C14H14O2P2S4/c1-15-11-3-7-13(8-4-11)17(19)21-18(20,22-17)14-9-5-12(16-2)6-10-14/h3-10H,1-2H3
InChIKey: CFHGBZLNZZVTAY-UHFFFAOYSA-N
SMILES: S1P(=S)(C2=CC=C(OC)C=C2)SP1(=S)C1=CC=C(OC)C=C1
EPA: 1 · 1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide (19172-47-5)

화학적 성질

light yellow to beige powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H261 (86.2%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]；H302 (24.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (15.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (24.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P231+P232, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P378, P402+P404, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 58 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 4건

Chemical: 1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22041

2,4-Bis(4-methoxyphenyl)-2,4-dithioxo-1,3,2,4- dithiadiphosphetane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryReacts violently with water evolving flammable gases; May cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesWater-react. 2 (86.2%)；Acute Tox. 4 (24.1%)；Acute Tox. 4 (15.5%)；Acute Tox. 4 (24.1%)

규제 정보

Regulatory Information · 4건

Chemical: 1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 09-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22041

2,4-Bis(4-methoxyphenyl)-2,4-dithioxo-1,3,2,4- dithiadiphosphetane: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 3278
HS 번호: 29349990
risk_code: 20/21/22-15/29-37
hazard_code: Xn-F,Xi,Xn,F
safety_code: 8-43-36/37-22-38-7/8
포장분류: III
위험 등급: 4.3
F 고인화성물질: 13-21
Hazard Classifications: Water-react 2
스토리지 클래스: 4.3 - Hazardous materials which set free flammable gases upon contact with water

화학 및 산업

용도 및 제조

UsesUsed as a thionating agent to convert carbonyls into thiocarbonyls; [Merck Index]

General Manufacturing Information1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide: ACTIVE

응용 분야 · 2건

용도Lawesson's reagent is a thiation agent used to convert carbonyl compounds into thiocarbonyls. It is also used to thionate enones, esters, lactones, amides, lactams and quinones. Further, it is used to prepare thiols from alcohols. It is associated with silver perchlorate and utilized as and oxophilic Lewis acid catalyst for Diels-Alder reaction of dienes with alfa, beta-unsaturated aldehydes.

일반 설명Lawesson′s reagent is generally used as a thiation agent in organic synthesis for the conversion of oxygen functionalities into their thio analogs. It facilitates the conversion of the carbonyl group to thiocarbonyl group as well as carbon-oxygen single bond into a carbon-sulfur single bond.