Basic information
- CAS
14255-87-9- Standard SMILES
CCCCc1ccc2nc(NC(=O)OC)[nH]c2c1- InChIKey
YRWLZFXJFBZBEY-UHFFFAOYSA-N- Molecular formula
- C13H17N3O2
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.13207679
Overview
Crystals or fine white powder. (NTP, 1992)
Names & identifiers
- Preferred name
- Parbendazole
- IUPAC
- methyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
- English name
- Parbendazole
- Molecular formula
- C13H17N3O2
- Molecular weight
- 247.29
Names & synonyms
Parbendazole14255-87-9VerminumWorm GuardPBDZParbendazolHelatacParbendazolumSK&F 29044METHYL 5-BUTYL-2-BENZIMIDAZOLECARBAMATEDTXSID0045410Carbamic acid, (5-butyl-1H-benzimidazol-2-yl)-, methyl ester
Show more names
(4-butyl-1h-benzimidazol-2-yl)-carbamicacidmethylesterskf29044helmatacParbendazole (200 mg)Parbendazole (1498706)C15892000 ParbendazoleParbendazole (Standard)
TCMDC-131798SKF-29044N4X8WVX2UG5-Butyl-2-(carbomethoxyamino)benzimidazoleNSC-256420SK&F-290442-Benzimidazolecarbamic acid, 5-butyl-, methyl ester(4-Butyl-1H-benzimidazol-2-yl)-carbamic acid methyl ester
Database identifiers
- CAS
14255-87-9- PubChem CID
- 26596
- DTXSID
DTXSID0045410- ChEMBL
CHEMBL528271- ChEBI
CHEBI:94267- UNII
- N4X8WVX2UG
- EC Number
- 238-133-3
- Nikkaji
- J9.604K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Experimental & physicochemical properties
Solubilityless than 1 mg/mL at 64 °F (NTP, 1992)
Melting Point491 to 495 °F (decomposes) (NTP, 1992)
Physical DescriptionCrystals or fine white powder. (NTP, 1992)
Collision Cross Section175.7 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]
Physicochemical properties
- Melting point
- 255 · 255-257°C
- Boiling point
- 390.33 °C · 390.33°C (rough estimate)
- Density
- 1.1214 · 1.1214 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 11.66 · 11.66±0.10(Predicted)
- color
- White to Off-White
- Water Solubility
- 0.1 g/100 · <0.1 g/100 mL at 18 ºC
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)
- InChIKey
- YRWLZFXJFBZBEY-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)NC1NC2=CC(CCCC)=CC=C2N=1
- FDA UNII
- 4 X8WVX2UG · N4X8WVX2UG
- EPA Substance Registry System
- Parbendazole (14255-87-9)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302-H361
- Precautionary statements
- 280 · P280-P301+P312+P330
- Hazard Codes
- Xn
- Risk Statements
- 63 · 63-22
- Safety Statements
- 36 · 36/37
- WGK Germany
- 3 · 3
- RTECS
- 6495000 · DD6495000
- HS Code
- 2933997500 · 2933997500
- Toxicity
- 50 in · LD50 in mice, rats (g/kg): >4 orally, both species (Actor)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety InformationIMAP assessments - Carbamic acid, (5-butyl-1H-benzimidazol-2-yl)-, methyl ester: Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
PARBENDAZOLE is a carbamate ester-amine. Amines behave as chemical bases. Carbamates are chemically similar to, but more reactive than amides. Like amides they form polymers such as polyurethane resins. Carbamates are incompatible with strong acids and bases, and especially incompatible with strong reducing agents such as hydrides. Flammable gaseous hydrogen is produced by the combination of active metals or nitrides with carbamates. Strongly oxidizing acids, peroxides, and hydroperoxides are incompatible with carbamates.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety & protection
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Safety data
- wgk
- 3
- rtecs
- DD6495000
- hs_code
- 2933997500
- Toxicity
- LD50 in mice, rats (g/kg): >4 orally, both species (Actor)
- risk_code
- 63-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 36/37
- Hazard statements
- H302-H361
- Precautionary statements
- P280-P301+P312+P330
Chemistry & industry
Pharmacology
ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationSubstances used in the treatment or control of nematode infestations. They are used also in veterinary practice.
Applications
UsesAntiparasitic
UsesParbendazole is a benzimidazole carbamate and a potent inhibitor of microtubule assembly and functions.
General DescriptionCrystals or fine white powder.
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
泰州葛林美克医药科技有限公司15366892466 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
ChemeGen 中国18818260767 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京友杰医药科技有限公司18860950986 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18602735115 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
XIAMEN EQUATION CHEMICAL CO.,LTD+86-5926515854 +86-18060954864 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
湖北威德利化学试剂有限公司13429867250 13429867250 · [email protected]
Additional notes
DefinitionChEBI: N-(6-butyl-1H-benzimidazol-2-yl)carbamic acid methyl ester is a carbamate ester and a member of benzimidazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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