Basic information
- Standard SMILES
CC(C)OP(=O)(OC(C)C)SCc1ccccc1- InChIKey
FCOAHACKGGIURQ-UHFFFAOYSA-N- Molecular formula
- C13H21O3PS
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.0949027
Names & identifiers
- Preferred name
- Iprobenfos
- IUPAC
- di(propan-2-yloxy)phosphorylsulfanylmethylbenzene
- English name
- Iprobenfos
- Molecular formula
- C13H21O3PS
- Molecular weight
- 288.34
Names & synonyms
Iprobenfos26087-47-8Kitazin PKitazin LRicid IIS-BENZYL O,O-DIISOPROPYL PHOSPHOROTHIOATEO,O-Diisopropyl S-benzyl thiophosphateO,O-Diisopropyl-S-benzylthiophosphatePhosphorothioic acid, S-benzyl O,O-diisopropyl esterO,O-Bis(1-methylethyl) S-(phenylmethyl)phosphorothioateOV3YOE2895DTXSID7058040
Show more names
EBPIBPepbMPS4BricidpC15230B/MMP9ricidiiKITAZINpro-MMP
S-benzyl-O,O'-diisopropylphosphorothiolatebis(propan-2-yl) (benzylsulfanyl)phosphonateCHEBI:79737O,O diisopropyl-S-benzylthiophosphateRefChem:148657DTXCID9031808247-449-0Iprofenfos
Database identifiers
- CAS
26087-47-8- PubChem CID
- 33294
- DTXSID
DTXSID7058040- ChEMBL
CHEMBL388384- ChEBI
CHEBI:79737- UNII
- OV3YOE2895
- EC Number
- 247-449-0
- Nikkaji
- J1.878C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
LogP3.34
Solubility0.4 mg/mL at 20 °C
Melting Point< 25 °C
Physical DescriptionSolid
Kovats Retention Index
1817；1819.5；1783；1805；1820
1838；1845；1838；1859；1823.5
2534
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 126 °C · 126°C
- Density
- 1.1001 g/cm3 · 1.1001 g/cm3
- vapor pressure
- 2.5 x · 2.5 x 10-4 Pa (20 °C)
- refractive index
- 1.51 · approximate 1.51
- Flash point
- 11 °C · 11 °C
- storage temp.
- 4 °C · APPROX 4°C
- Water Solubility
- 430 mg · 430 mg l-1(20 °C)
- form
- liquid
- color
- Colorless to light yellow
- biological source
- rabbit
- BRN
- 1974687 · 1974687
- Henry's Law Constant
- 2.6 · 2.6×102 mol/(m3Pa) at 25℃, Watanabe (1993)
- Exposure limits
- 2 mg/m3; · PC-TWA: 2 mg/m3; PC-STEL: 5 mg/m3
- Major Application
- agricultureenvironmental
- InChI
- 1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
- InChIKey
- FCOAHACKGGIURQ-UHFFFAOYSA-N
- SMILES
- CC(C)OP(=O)(OC(C)C)SCc1ccccc1
- CAS DataBase Reference
- 26087 · 26087-47-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 YOE2895 · OV3YOE2895
- NIST Chemistry Reference
- Kitazin p(26087-47-8)
- EPA Substance Registry System
- Phosphorothioic acid, O,O-bis(1-methylethyl) S-(phenylmethyl) ester (26087-47-8)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 41 · NA.41
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411
- Precautionary statements
- 264 · P264-P270-P273-P301+P312-P391-P501
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn;N,N,Xn,T,F
- Risk Statements
- 22 · 22-51/53-39/23/24/25-23/24/25-11
- Safety Statements
- 61 · 61-45-36/37-16-7
- RIDADR
- 3082 · UN 3082
- WGK Germany
- 2 · 2
- RTECS
- 6550000 · TE6550000
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
- HS Code
- 29309090 · 29309090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 2
Safety & regulation
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Warning
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)；Aquatic Chronic 2 (100%)
Acute toxicity - category 4；Hazardous to the aquatic environment (chronic) - category 2
Acute toxicity (Oral) - Category 4；Acute toxicity (Inhalation: Dusts and mists) - Category 2；Serious eye damage/eye irritation - Category 2B；Skin sensitization - Category 1；Specific target organ toxicity - Single exposure - Category 2 (nervous system)；Hazardous to the aquatic environment (Acute) - Category 1；Hazardous to the aquatic environment (Long-term) - Category 1
Acute toxicity (Oral) - Category 4；Serious eye damage/eye irritation - Category 2B；Skin sensitization - Category 1；Reproductive toxicity - Category 2；Specific target organ toxicity - Single exposure - Category 1 (nervous system)；Specific target organ toxicity - Repeated exposure - Category 2 (nervous system)；Hazardous to the aquatic environment (Acute) - Category 1；Hazardous to the aquatic environment (Long-term) - Category 1
Acute Tox. 4 *；Aquatic Chronic 2
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- rtecs
- TE6550000
- ridadr
- UN 3082
- hs_code
- 29309090
- risk_code
- 22-51/53-39/23/24/25-23/24/25-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn;N,N,Xn,T,F
- safety_code
- 61-45-36/37-16-7
- hazard_class
- 6.1(a)
- Storage Class
- 10 - Combustible liquids
- packing_group
- II
- Hazard statements
- H302-H411
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2
- Precautionary statements
- P264-P270-P273-P301+P312-P391-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesIprobenfos is a systemic fungicide which provides effective protective and curative control of leaf and ear blast (Pyricularia oryzae), stem rot (Helminthosporium spp.) and sheath blight (Rhizoctonia solani) in rice.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
北京华美互利生物化工010-56205725 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
InvivoChem中国13549236410 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海毕楷科技有限公司18516304666
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
成都迈斯克医药科技有限公司028-84552636 18084815636 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
湖北赛恩斯化工有限公司15994282563 15994282563 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广州和为医药科技有限公司17612033329 17612033329
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海新平精细化学品有限公司18221735425 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海百舜生物科技有限公司021-37581181 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京坛墨质检科技有限公司010-52889049 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Aladdin Scientific[email protected]
湖北达豪化工有限公司027-027-59106191 13986034860 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
河北独领国际贸易有限公司18032116176 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
北京勤诚亦信科技开发有限公司010-67787816; 13811243025 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
Additional notes
DefinitionChEBI: An organic thiophosphate that is the S-benzyl O,O-diisopropyl ester of phosphorothioic acid. Used as a rice fungicide to control leaf and ear blast, stem rot and sheath blight.
Related reactions
2 records
Linked notes
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