Terbufos sulfone

HCID 41718CAS 56070-16-7

기본 정보

표준 SMILES: CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C
InChIKey: DWZSTEUTHNUVQD-UHFFFAOYSA-N
분자식: C9H21O4PS3
평균 분자량: 320.4 g/mol
단동위원소 질량: 320.03395967

이름 및 식별자

우선 이름: Terbufos sulfone
IUPAC: tert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
영어명: TERBUFOS-SULFONE
분자식: C9H21O4PS3
분자량: 320.43

이름 및 동의어

TERBUFOS SULFONE56070-16-7DTXSID1042443U2V9FRY9P2DTXCID9022443Phosphorodithioic acid, S-(((1,1-dimethyethyl)sulfonyl)methyl) O,O-diethyl esterRefChem:891388Terbufos-sulfonetert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphaneUNII-U2V9FRY9P2TerbufosSulfoneTERBUFOS SULPHONE

이름 더 보기

TERBUFOSSULPHONE*Sudan Impurity 31TERBUFOS-SULFONE PESTANALC17270400 Terbufos-sulfoneterbufos sulfone in AcetoneTerbufos sulfone in AcetonitrileTerbufos sulfone Solution, 100ppmTerbufos sulfone Solution, 1000ppmTerbos-SulfoneSolution,100mg/L,1ml

SCHEMBL5933954CHEMBL3560248MSK20089Tox21_304046NCGC00357253-01Terbufos-sulfone 1000 |Ig/mL in AcetoneCAS-56070-16-7NS00001573

데이터베이스 식별자

CAS: 56070-16-7
PubChem CID: 41718
DTXSID: DTXSID1042443
ChEMBL: CHEMBL3560248
UNII: U2V9FRY9P2
EC Number: 634-681-6
Nikkaji: J303.813K

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 118 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 17
형식 전하: 0
복잡도: 357

실험 및 물리화학적 성질

Kovats Retention Index · 2건

2002

2044.2

Collision Cross Section · 2건

171.3 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1042443]

172.88 Å² [M+H]+ [CCS Type: TW]

물리화학적 성질

끓는 점: 411.5 · 411.5±47.0 °C(Predicted)
밀도: 1.2 · 1.2000 (rough estimate)
굴절률: 1.521 · 1.5210 (estimate)
저장 조건: 2 · 2-8°C
수용성: 407.8 mg/L · 407.8mg/L(18.5 ºC)
BRN: 2279368 · 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

GHS Classification · 5건

Danger

H300 (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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (100%)；Acute Tox. 2 (100%)；Acute Tox. 1 (100%)

독성 정보

USGS Health-Based Screening Levels for Evaluating Water-Quality · 3건

Terbufos sulfone

Pesticide degradation product

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

안전 데이터

wgk: 3
ridadr: UN 2810 6.1/PG 1
risk_code: 26/27/28
hazard_code: T+
safety_code: 36/37/39-45
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 Oral
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야

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

상·하류 제품 정보

상류 원료

터브포스

하류 제품

TERBUFOS-SULFOXIDE

공급사17 곳

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

玺标（上海）科技有限公司18512111473 18512111473 · [email protected]

上海毕楷科技有限公司18516304666

上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]

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