Terbufos sulfone

TERBUFOS-SULFONE · TERBUFOSSULPHONE · *Sudan Impurity 31 · TERBUFOS-SULFONE PESTANAL · C17270400 Terbufos-sulfone · terbufos sulfone in Acetone · Terbufos sulfone in Acetonitrile · Terbufos sulfone Solution, 100ppm

https://huagongshe.com/ko/chemical/41718

식별자 및 물리적 특성

CAS No.	56070-16-7
분자식	C9H21O4PS3
평균 분자량	320.4 g/mol
단동위원소 질량	320.03395967 g/mol
SMILES	CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C
InChIKey	DWZSTEUTHNUVQD-UHFFFAOYSA-N
PubChem CID	41718
ChEMBL	CHEMBL3560248
EC No.	634-681-6
DTXSID	DTXSID1042443

화학 및 물리적 성질

XLogP	2.5
극성 표면적	118
수소 결합 공여자 수	0
수소 결합 수용자 수	6
회전 가능 결합 수	8
무거운 원자 수	17
형식 전하	0
복잡도	357
Kovats Retention Index	20022044.2
Collision Cross Section	171.3 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID1042443]172.88 Å² [M+H]+ [CCS Type: TW]
끓는 점	411.5±47.0 °C(Predicted)
밀도	1.2000 (rough estimate)
굴절률	1.5210 (estimate)
저장 조건	2-8°C
용해도	407.8mg/L(18.5 ºC)
BRN	2279368
InChI	1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3
InChIKey	DWZSTEUTHNUVQD-UHFFFAOYSA-N
SMILES	CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C
EPA	Terbufos sulfone (56070-16-7)

안전 및 규제

GHS 분류	DangerH300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal]H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 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.
Hazard Classes and Categories	Acute Tox. 2 (100%)Acute Tox. 1 (100%)
USGS Health-Based Screening Levels for Evaluating Water-Quality	Terbufos sulfonePesticide degradation productSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 2810 6.1/PG 1
위험 문구(R)	26/27/28
위험 표시	T+
안전 문구(S)	36/37/39-45
위험 등급	Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 Oral
저장 분류	6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

용도

Terbufos Sulfone is used in the inhibition of nicosulfuron metabolite by terbufos metabolites in maize.