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ベンゾイルヒドラジン

Benzoylhydrazine

HCID 11955
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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
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基本情報

CAS
613-94-5
標準SMILES
NNC(=O)c1ccccc1
InChIKey
WARCRYXKINZHGQ-UHFFFAOYSA-N
分子式
C7H8N2O
平均分子量
136.15 g/mol
単同位体質量
136.06366288

概要

Benzohydrazide is a carbohydrazide. It is functionally related to a benzoic acid.

名称と識別子

優先名称
Benzoylhydrazine
IUPAC
benzohydrazide
現地名
ベンゾイルヒドラジン
英語名
Benzoyl hydrazine
分子式
C7H8N2O
分子量
136.15

名称と別名

Benzohydrazide613-94-5BenzoylhydrazineBENZHYDRAZIDEBenzoic hydrazideBenzoic acid hydrazideBenzoic acid, hydrazideBenzohydrazineBenzoyl hydrazideHydrazid kyseliny benzooveLLW11ZWZ20CHEBI:38454
名称をさらに表示
ベンゾイルヒドラジンα-ヒドラゾノベンゼンメタノール1-ベンゾイルヒドラジン安息香酸ヒドラジドベンゾヒドラジドベンゼンカルボヒドラジドベンズヒドラジドBENZOIC HYDRAZINEINHd 14NSC 644
NSC-644RefChem:565091210-363-9Benzoyl hydrazinebenzoylhydrazideHydrazine, benzoyl-benzenecarbohydrazideAzelastine EP Impurity A

データベース識別子

CAS
613-94-5
PubChem CID
11955
DTXSID
DTXSID6020149
ChEMBL
CHEMBL125369
ChEBI
CHEBI:38454
UNII
LLW11ZWZ20
EC Number
210-363-9
Nikkaji
J30.698C

物性

構造計算による物性補完中

XLogP
0.2
極性表面積
55.1 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
1
重原子数
10
形式電荷
0
複雑度
119

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Hydrazides
SpringerMaterials PropertiesChemical shift
LogP · 2 件

log Kow = 0.19

0.21

Color/FormPlates from water
SolubilitySol in water and alc; slightly sol in ether, acetone, chloroform
Boiling Point267 °C (decomposes)
DecompositionWhen heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Melting Point115 °C
Vapor Pressure · 2 件

0.0000778 [mmHg]

7.8X10-5 mm Hg at 25 °C /Estimated/

Henry's Law ConstantHenry's Law constant = 9.5X10-12 atm-cu m/mol at 25 °C /Estimated/
Physical DescriptionSolid; Soluble in water; [HSDB] White crystalline powder; [MSDSonline]

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

Danger

H301 (82.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationBenzoic acid, hydrazide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIn animal experiments, causes somnolence and seizures after acute exposure and tumors after chronic exposure; [RTECS] May cause liver injury; [HSDB] An irritant; [MSDSonline] See Hydrazine.
Hazard Classes and CategoriesAcute Tox. 3 (82.7%)
Hazardous Reactivities and IncompatibilitiesViolent reaction with benzeneseleninic acid.

安全と保護具

Disposal Methods · 1 件

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

化学と産業

薬理情報

Metabolism/Metabolites · 2 件

Benzohydrazide yields benzoic acid in rabbit: El Masri, AM, Smith, JN, & Williams, RT, Biochem J, 68, 587 (1958). /from table/

... Benzohydrazide ... /is/ metabolized by rabbits to yield hippuric acid & hydrazine.

用途と製造

Uses · 2 件

Used as a chemical intermediate for hydrazine-based products; [HSDB]

Chemical intermediate ... hydrazine-based products

General Manufacturing InformationBenzoic acid, hydrazide: ACTIVE

応用分野

使用Benzoyl Hydrazine is an acyl hydrazide as potent antioxidant.

上流・下流製品情報

下流製品

ゾルビシン塩酸塩2-(1-ナフチル)-5-フェニル-1,3,4-オキサジアゾール2-フェニル-5-(4-ビフェニリル)-1,3,4-オキサジアゾール5-フェニル-1,3,4-オキサジアゾール-2(3H)-チオン2-(4-ブロモフェニル)-5-フェニル-1,3,4-オキサジアゾール

関連反応

288 件
反応記録を作成
HRID 11226 の反応式
HRID 11226反応物としてuspto-grants-2006_08
HRID 22098 の反応式
HRID 22098反応物としてuspto-grants-1995_06
HRID 42307 の反応式
HRID 42307反応物としてuspto-grants-2013_09
HRID 44219 の反応式
HRID 44219反応物としてuspto-grants-2013_09
HRID 44646 の反応式
HRID 44646反応物としてuspto-grants-2013_09
HRID 45377 の反応式
HRID 45377反応物としてuspto-grants-2013_09
HRID 78585 の反応式
HRID 78585反応物としてuspto-grants-2014_09
HRID 94882 の反応式
HRID 94882反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
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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
その他の操作
ノートを作成反応を作成見積依頼を出す
Dissociation ConstantspKa = 3.03 at 20 °C (conjugate acid)

物理化学的性質

融点
112 · 112-114 °C (lit.)
沸点
250.42 °C · 250.42°C (rough estimate)
比重(密度)
1.1778 · 1.1778 (rough estimate)
屈折率
1.546 · 1.5460 (estimate)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
溶解性
DMSO (Slightly), Methanol (Slightly)
外見
針状の結晶または粉末
酸解離定数(Pka)
1 · pK1: 3.03(+2);pK2: 12.45(+1) (25°C)
色
白からベージュ
BRN
471797 · 471797
InChI
InChI=1S/C7H8N2O/c8-9-7(10)6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10)
InChIKey
WARCRYXKINZHGQ-UHFFFAOYSA-N
SMILES
C(NN)(=O)C1=CC=CC=C1
CAS データベース
613 · 613-94-5(CAS DataBase Reference)
NISTの化学物質情報
Benzoic acid, hydrazide(613-94-5)
EPAの化学物質情報
Benzoic acid, hydrazide (613-94-5)

化学的性質

化学的特性WHITE TO BEIGE NEEDLE-LIKE CRYSTALS OR POWDER

Personal Protective Equipment (PPE) · 1 件

... Vinyl coated hand protection, natural or reclaimed rubber protection, rubber aprons, and plastic eye and face protection ... used when working with small quantities. Where possibility of gross splashing exists, full protective clothing made of rubber, neoprene or vinyl-coated materials should be worn. For respiratory protection in situations where recommended tolerance limits ... exceeded, respiratory protective equipment... must be used. /Hydrazine and derivatives/

毒性情報

Interactions · 1 件

Binary mixtures of the osteolathyrogens benzoic hydrazide and beta-aminopropionitrile were tested to determine the joint action for these chemicals, by evaluating induction of malformation and osteolathyrism in developing frog embryos. Exposures, starting with late-blastula stage embryos, were for 96-hr with solution renewal every 24-hr. Five treatments were examined, each chemical alone (i.e., 1:0 and 0:1 solutions) and three mixtures (i.e., 3:1, 1:1, and 1:3). Following exposure, embryos were evaluated grossly and the incidences of all types of malformations and osteolathyrogenic lesions were determined. Toxic unit analysis and isobole diagrams indicated these chemicals were concentration additive in inducing malformations and osteolathyrism. Therefore, benzoic hydrazide and beta-aminopropionitrile induce osteolathyrism, in Xenopus embryos, in a similar manner.

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Ecotoxicity Excerpts · 1 件

/AQUATIC SPECIES/ Binary mixtures of the osteolathyrogens benzoic hydrazide and beta-aminopropionitrile were tested to determine the joint action for these chemicals, by evaluating induction of malformation and osteolathyrism in developing frog embryos. Exposures, starting with late-blastula stage embryos, were for 96-hr with solution renewal every 24-hr. Five treatments were examined, each chemical alone (i.e., 1:0 and 0:1 solutions) and three mixtures (i.e., 3:1, 1:1, and 1:3). Following exposure, embryos were evaluated grossly and the incidences of all types of malformations and osteolathyrogenic lesions were determined. Toxic unit analysis and isobole diagrams indicated these chemicals were concentration additive in inducing malformations and osteolathyrism. Therefore, benzoic hydrazide and beta-aminopropionitrile induce osteolathyrism, in Xenopus embryos, in a similar manner.

Non-Human Toxicity Excerpts · 3 件

/HUMAN EXPOSURE STUDIES/ Large number of ... hydrazine derivatives are convulsants including ... benzhydrazide...

/HUMAN EXPOSURE STUDIES/ .../Benzhydrazide is among/ hydrazine deriv /which/ have been observed to cause alterations in liver function, fatty infiltration, or cellular damage. ... Characteristic liver pathology seen after effective doses of hepatotoxic hydrazines is fatty degeneration ... most marked in center of liver lobules.

/HUMAN EXPOSURE STUDIES/ There may also be damage to other organs, particularly kidney /after effective doses of hepatotoxic hydrazines incl benzhydrazide./ ... Other pathological changes, such as extramedullary hepatopoiesis, pigment (hemosiderin) deposition in cells, and vascular thrombosis, are secondary to blood cell destruction.

Populations at Special Risk · 1 件

Biological half-lives were significantly different among the three acetylation phenotypes (analysis of variance, P < 0.05): 3.94+/-1.70 hours for slow acetylators, 2.25+/-0.37 hours for intermediate acetylators, and 1.86+/-0.67 hours for rapid acetylators. /Hydrazine/

Antidote and Emergency Treatment · 5 件

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . Cover skin burns with dry, sterile dressings after decontamination ... . /Hydrazine and Related Compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors for hypotension with a normal fluid volume. Watch for signs of fluid overload ... . Treat seizures with diazepam ... . Monitor for signs of hypoglycemia (decreased level of consciousness, tachycardia, pallor, dilated pupils, diaphoresis, and/or a dextrose strip or glucometer reading less than 50 mg/dl) and administer 50% dextrose if necessary. Draw blood sample before administration ... . Administer 1% solution methylene blue if patient is symptomatic with severe hypoxia, cyanosis, and cardiac compromise not responding to oxygen. ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Hydrazine and Related Compounds/

Specific treatment for exposure consists of thorough washing of all exposed skin areas with soap and water, copious irrigation of the eyes, and prompt removal of the patient from the source of exposure. /Hydrazines/

After inhalation, observation for progressive respiratory distress is necessary. Chest X-ray and arterial blood gases should be monitored. Administration of oxygen, intubation, and assisted ventilation may become necessary. Pneumonia and bronchitis need to be excluded. /Hydrazines/

For more Antidote and Emergency Treatment (Complete) data for BENZHYDRAZIDE (6 total), please visit the HSDB record page.

Non-Human Toxicity ValuesLD50 Mouse sc 122 mg/kg

安全データ

wgk
3
tsca
TSCA listed
rtecs
DH1575000
ridadr
UN 2811 6.1/PG 3
毒性
LD50 scu-mus: 122 mg/kg JPETAB 122,110,58
hs_code
29280090
risk_code
25-36/37/38
hazard_code
T
safety_code
26-45
hazard_class
IRRITANT
packing_group
Ⅲ
Hazard Classifications
Acute Tox. 4 OralCarc. 2Skin Irrit. 2
ストレージクラス
13 - Non Combustible Solids
有毒物質データの
613-94-5(Hazardous Substances Data)
N-(tert-ブトキシカルボニル)-D-フェニルアラニン
ベンゼンカルボニルアザイド
N'-benzoyl-3-methylbenzohydrazide
エタナールベンゾイルヒドラゾン
N'-(1-AMINO-2-CYANOVINYL)BENZENECARBOHYDRAZIDE