基本情報
- 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
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
名称をさらに表示
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
- 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
Vapor Pressure
0.0000778 [mmHg]
7.8X10-5 mm Hg at 25 °C /Estimated/
Other Experimental Properties
Violent reaction with benzeneselenic acid. When heated to decomposition emits toxic fumes of NOx
Hydroxyl radical reaction rate constant = 7.3X10-12 cu cm/molec-sec at 25 °C /Estimated/
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
安全と法規制
GHS分類
GHS Classification
Danger
H301 (82.7%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (92.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (90.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (86.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H351 (15.4%): Suspected of causing cancer [Warning Carcinogenicity]
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.;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.
危険有害性情報
安全と保護具
Disposal Methods
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.
Personal Protective Equipment (PPE)
... 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
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.
Ecotoxicity Excerpts
/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
/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
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
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.
法規制情報
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)
化学と産業
薬理情報
Metabolism/Metabolites
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
Used as a chemical intermediate for hydrazine-based products; [HSDB]
Chemical intermediate ... hydrazine-based products
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
サプライヤー50 社
関連反応
関連ノート
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