O,O-디에틸 수소 포스포로디씨오에이트

O,O-디에틸수소포스포로디씨오에이트 · DIETHYL DITHIOPHOSPHATE · O,O-Diethyl hydrogen phosphorodithioate · O,O-DIETHYL DITHIOPHOSPHATE · O,O-Diethyl dithiophosphoric acid · Diethyl phosphorodithioic acid · EP-1 · Diethyldithiophosphoric acid

https://huagongshe.com/ko/chemical/9274

식별자 및 물리적 특성

CAS No.	298-06-6
분자식	C4H11O2PS2
평균 분자량	186.2 g/mol
단동위원소 질량	185.99380893 g/mol
SMILES	CCOP(=S)(S)OCC
InChIKey	IRDLUHRVLVEUHA-UHFFFAOYSA-N
PubChem CID	9274
ChEMBL	CHEMBL1886492
ChEBI	CHEBI:189749
EC No.	206-055-9
DTXSID	DTXSID6027133
현지명	O,O-디에틸 수소 포스포로디씨오에이트

화학 및 물리적 성질

XLogP	2.4
극성 표면적	51.6
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	4
무거운 원자 수	9
형식 전하	0
복잡도	107
증기압	0.05 [mmHg]60Pa at 57℃
Physical Description	Clear almost colorless liquid[MSDSonline]
Collision Cross Section	134.4 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID1058688]135.0 Å² [M-H]- [CCS Type: DTSource Identifier: DTXSID6027133]
녹는점	<0°C
끓는 점	60 °C1 mm Hg(lit.)
밀도	1.11 g/mL at 25 °C(lit.)
굴절률	n20/D 1.512(lit.)
인화점	181 °F
저장 조건	2-8°C
용해도	330g/L
pKa(산도 계수)	-0.10±0.34(Predicted)
물리적 상태	기름
색상	Pale Gray to Very Dark Brown
pH	0.8 (100g/l, H2O, 20℃)
생물학적 소스	rabbit
용해도	330g/L at 25℃
BRN	507407
안정성	흡습성
InChI	1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)
InChIKey	IRDLUHRVLVEUHA-UHFFFAOYSA-N
SMILES	CCOP(S)(=S)OCC
NIST	Phosphorodithioic acid, o,o'-diethyl ester(298-06-6)
EPA	O,O-Diethyl dithiophosphate (298-06-6)

안전 및 규제

Hazard Classes and Categories
GHS 분류	DangerH301 (25.9%): Toxic if swallowed [Danger Acute toxicity, oral]H302+H332 (71.4%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]H302 (73.5%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (26.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]H314 (99.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (71.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H330 (26.5%): Fatal if inhaled [Danger Acute toxicity, inhalation]H332 (72.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 147 reports by companies from 6 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.
규제 정보	Chemical: Phosphorodithioic acid, O,O-diethyl esterStatus: Active Update: 12-11-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/11749Phosphorodithioic acid, O,O-diethyl ester: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	A mutagen, severe eye irritant, and mild skin irritantCauses somnolence and dyspnea in lethal-dose inhalation studies of rats[RTECS] Evolves acidic gas on contact with water which can evolve explosive hydrogen gas on contact with metal surfacesA corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis and pulmonary edema[Aldrich MSDS]