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パーベンダゾール

Parbendazole

HCID 26596
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
14255-87-9
標準SMILES
CCCCc1ccc2nc(NC(=O)OC)[nH]c2c1
InChIKey
YRWLZFXJFBZBEY-UHFFFAOYSA-N
分子式
C13H17N3O2
平均分子量
247.29 g/mol
単同位体質量
247.13207679

概要

Crystals or fine white powder. (NTP, 1992)

名称と識別子

優先名称
Parbendazole
IUPAC
methyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
現地名
パーベンダゾール
英語名
Parbendazole
分子式
C13H17N3O2
分子量
247.29

名称と別名

Parbendazole14255-87-9VerminumWorm GuardPBDZParbendazolHelatacParbendazolumSK&F 29044METHYL 5-BUTYL-2-BENZIMIDAZOLECARBAMATEDTXSID0045410Carbamic acid, (5-butyl-1H-benzimidazol-2-yl)-, methyl ester
名称をさらに表示
パーベンダゾールパルベンダゾールパルベンダゾール標準品(5-ブチル-1H-ベンズイミダゾール-2-イル)カルバミン酸メチルヘルマタック5-ブチル-1H-ベンゾイミダゾール-2-イルカルバミド酸メチルベルミナムベルミニウムN-(5-ブチル-1H-ベンゾイミダゾール-2-イル)カルバミド酸メチルメチル N-(5-ブチル-1H-1,3-ベンゾジアゾール-2-イル)カルバマート(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

データベース識別子

物性

構造計算による物性

XLogP
3.4
極性表面積
67 Ų
水素結合供与体数
2
水素結合受容体数
3
回転可能結合数
5
重原子数
18
形式電荷
0
複雑度
285

実験および物理化学的性質

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]

物理化学的性質

融点
255 · 255-257°C
沸点
390.33 °C · 390.33°C (rough estimate)
比重(密度)
1.1214 · 1.1214 (rough estimate)
屈折率
1.57 · 1.5700 (estimate)
貯蔵温度
2 · Keep in dark place,Sealed in dry,2-8°C
溶解性
DMSO(微加熱)、メタノール(微加熱)
外見
Solid
酸解離定数(Pka)
11.66 · 11.66±0.10(Predicted)
色
ホワイトからオフホワイト
水溶解度
0.1 g/100 · <0.1 g/100 mL で 18 ºC
安定性
安定。強力な酸化剤とは相容れない。

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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 · 1 件

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%)

化学と産業

薬理情報

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.

応用分野

使用Parbendazole is a benzimidazole carbamate and a potent inhibitor of microtubule assembly and functions.

一般的な説明Crystals or fine white powder.

サプライヤー100 社

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関連反応

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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
CAS
14255-87-9
PubChem CID
26596
DTXSID
DTXSID0045410
ChEMBL
CHEMBL528271
ChEBI
CHEBI:94267
UNII
N4X8WVX2UG
EC Number
238-133-3
Nikkaji
J9.604K
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
EPAの化学物質情報
Parbendazole (14255-87-9)

化学的性質

化学的特性solid

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

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 · 1 件

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) · 1 件

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)

安全データ

wgk
3
rtecs
DD6495000
毒性
LD50 in mice, rats (g/kg): >4 orally, both species (Actor)
hs_code
2933997500
risk_code
63-22
hazard_code
Xn
safety_code
36/37
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