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Benzoylhydrazine

HCID 11955
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인쇄 미리보기

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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
613-94-5
표준 SMILES
NNC(=O)c1ccccc1
InChIKey
WARCRYXKINZHGQ-UHFFFAOYSA-N
분자식
C7H8N2O
평균 분자량
136.15 g/mol
단동위원소 질량
136.06366288

개요

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

이름 및 식별자

우선 이름
Benzoylhydrazine
IUPAC
benzohydrazide
영어명
Benzoyl hydrazine
분자식
C7H8N2O
분자량
136.15

이름 및 동의어

Benzohydrazide613-94-5BenzoylhydrazineBENZHYDRAZIDEBenzoic hydrazideBenzoic acid hydrazideBenzoic acid, hydrazideBenzohydrazineBenzoyl hydrazideHydrazid kyseliny benzooveLLW11ZWZ20CHEBI:38454
이름 더 보기
BENZOIC HYDRAZINEINHd 14NSC 644
NSC-644RefChem:565091210-363-9Benzoyl hydrazinebenzoylhydrazideHydrazine, benzoyl-benzenecarbohydrazideAzelastine EP Impurity A

데이터베이스 식별자

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

물성

구조 계산 물성보충 중

XLogP
0.2
극성 표면적
55.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
10
형식 전하
0
복잡도
119

실험 및 물리화학적 성질

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

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 · 2건

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]

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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.

안전 및 보호

Disposal Methods · 1건

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.

화학 및 산업

약리 정보

Metabolism/Metabolites · 2건

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.

용도 및 제조

Uses · 2건

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

Chemical intermediate ... hydrazine-based products

General Manufacturing InformationBenzoic acid, hydrazide: ACTIVE

응용 분야

용도Benzoyl Hydrazine is an acyl hydrazide as potent antioxidant.

상·하류 제품 정보

하류 제품

ZORUBICIN HCL2-(1-나프틸)-5-페닐-1,3,4-옥사디아졸2-(4-BIPHENYLYL)-5-PHENYL-1,3,4-OXADIAZOLE5-(4-METHYLPHENYL)-1,3,4-OXADIAZOLE-2-THIOL2-(4-브로모페닐)-5-페닐-1,3,4-옥사디아졸BOC-D-Phenylalanine벤조일라지드

관련 반응

288건
반응 기록 만들기
HRID 11226 반응식
HRID 11226반응물로uspto-grants-2006_08
HRID 22098 반응식
HRID 22098반응물로uspto-grants-1995_06
HRID 42307 반응식
HRID 42307반응물로uspto-grants-2013_09
HRID 44219 반응식
HRID 44219반응물로uspto-grants-2013_09
HRID 44646 반응식
HRID 44646반응물로uspto-grants-2013_09
HRID 45377 반응식
HRID 45377반응물로uspto-grants-2013_09
HRID 78585 반응식
HRID 78585반응물로uspto-grants-2014_09
HRID 94882 반응식
HRID 94882반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
1 / 36 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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새 노트새 반응견적 요청하기
Dissociation ConstantspKa = 3.03 at 20 °C (conjugate acid)

물리화학적 성질

녹는점
112 · 112-114 °C (lit.)
끓는 점
250.42 °C · 250.42°C (rough estimate)
밀도
1.1778 · 1.1778 (rough estimate)
굴절률
1.546 · 1.5460 (estimate)
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
바늘 모양의 결정 또는 분말
산도 계수 (pKa)
1 · pK1: 3.03(+2);pK2: 12.45(+1) (25°C)
색상
흰색에서 베이지색
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
NIST
Benzoic acid, hydrazide(613-94-5)
EPA
Benzoic acid, hydrazide (613-94-5)

화학적 성질

WHITE TO BEIGE NEEDLE-LIKE CRYSTALS OR POWDER

Personal Protective Equipment (PPE) · 1건

... 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/

독성 정보

Interactions · 1건

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 · 1건

/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 · 3건

/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 · 1건

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 · 5건

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

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
DH1575000
ridadr
UN 2811 6.1/PG 3
독성
LD50 scu-mus: 122 mg/kg JPETAB 122,110,58
HS 번호
29280090
risk_code
25-36/37/38
hazard_code
T
safety_code
26-45
포장분류
Ⅲ
위험 등급
IRRITANT
Hazard Classifications
Acute Tox. 4 OralCarc. 2Skin Irrit. 2
스토리지 클래스
13 - Non Combustible Solids
유해 물질 데이터
613-94-5(Hazardous Substances Data)
N'-benzoyl-3-methylbenzohydrazide
벤조산,에틸리덴히드라지드(6CI,7CI,8CI,9CI)
N'-(1-AMINO-2-CYANOVINYL)BENZENECARBOHYDRAZIDE