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아닐린하이드로브로마이드

Benzenamine, hydrobromide (1:1)

HCID 68330
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
542-11-0
표준 SMILES
Br.Nc1ccccc1
InChIKey
KBPWECBBZZNAIE-UHFFFAOYSA-N
분자식
C6H7N.BrH
평균 분자량
174.04 g/mol
단동위원소 질량
172.98401

개요

Aniline is an organic chemical compound, specifically a primary aromatic amine. It consists of a benzene ring attached to an amino group. Aniline is oily and, although colorless, it can be slowly oxidized and resinified in air to form impurities which can give it a red-brown tint. Its boiling point is 184 degree centigrade and its melting point is -6 degree centegrade. It is a liquid at room temperature. Like most volatile amines, it possesses a somewhat unpleasant odour of rotten fish, and also has a burning aromatic taste; it is a highly acrid poison. It ignites readily, burning with a large smoky flame. Aniline reacts with strong acids to form salts containing the anilinium (or phenylammonium) ion (C6H5-NH3+), and reacts with acyl halides (such as acetyl chloride (ethanoyl chloride), CH3COCl) to form amides. The amides formed from aniline are sometimes called anilides, for example CH3-CO-NH-C6H5 is acetanilide, for which the modern name is N-phenyl ethanamide. Like phenols, aniline derivatives are highly reactive in electrophilic substitution reactions. For example, sulfonation of aniline produces sulfanilic acid, which can be converted to sulfanilamide. Sulfanilamide is one of the sulfa drugs which were widely used as antibacterial in the early 20th century. Aniline was first isolated from the destructive distillation of indigo in 1826 by Otto Unverdorben. In 1834, Friedrich Runge isolated from coal tar a substance which produced a beautiful blue color on treatment with chloride of lime; this he named kyanol or cyanol. In 1841, C. J. Fritzsche showed that by treating indigo with caustic potash it yielded an oil, which he named aniline, from the specific name of one of the indigo-yielding plants, Indigofera anil, anil being derived from the Sanskrit, dark-blue.

이름 및 식별자

우선 이름
Benzenamine, hydrobromide (1:1)
IUPAC
aniline;hydrobromide
현지명
아닐린하이드로브로마이드
영어명
Aniline Hydrobromide
분자식
C6H8BrN
분자량
174.04

이름 및 동의어

Aniline hydrobromide542-11-0Benzenamine, hydrobromide (1:1)01XK3D1SXODTXSID60883432RefChem:112808DTXCID701022963208-801-9Anilinium bromideANILINEHYDROBROMIDEPhenylammonium bromideBenzenamine, hydrobromide
이름 더 보기
아닐린하이드로브로마이드PhABrC6H8NBr(PhABr)aniliniumbromidebenzenaminehydrobromidebenzenamine,hydrobromideAniline·hydrogen bromide
aniline;hydrobromideMFCD00035465EINECS 208-801-9UNII-01XK3D1SXOaniline bromideANILINE HBRaniline hydrobromide saltSCHEMBL3704736

데이터베이스 식별자

CAS
542-11-0
PubChem CID
68330
DTXSID
DTXSID60883432
UNII
01XK3D1SXO
EC Number
208-801-9

물성

구조 계산 물성

극성 표면적
26 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
8
형식 전하
0
복잡도
46.1

물리화학적 성질

녹는점
285 °C · 285°C(dec.)(lit.)
저장 조건
2 · 2-8°C, sealed storage, away from moisture
수용성
물에 용해됨
물리적 상태
powder to crystal
색상
White to Light yellow to Dark green
InChI
1S/C6H7N.BrH/c7-6-4-2-1-3-5-6;/h1-5H,7H2;1H
InChIKey
KBPWECBBZZNAIE-UHFFFAOYSA-N
EPA
Aniline hydrobromide (542-11-0)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (97.5%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Benzenamine, hydrobromide
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

독성 정보

Exposure RoutesToxic by ingestion and a skin and eye irritant.
Toxicity Summary · 1건

Aniline induces lipid peroxidation and protein oxidation in the spleen and that oxidative stress plays a role in the splenic toxicity of aniline. The hematopoietic system is the primary target of aniline insult in rats which is characterized by methemoglobinemia, hemolysis, and hemolytic anemia and by the development of splenic hyperplasia, siderosis, fibrosis, a variety of sarcomas, and, most commonly, fibrosarcomas on prolonged exposure. Many of the characteristics of splenotoxicity in rats, such as hyperplasia, hyperpigmentation, and/or formation of highly malignant tumors such as fibrosarcomas, are not restricted to aniline exposure, but also occur when animals are exposed to substituted anilines such as chloroaniline. Studies with aniline hydrochloride in rats indicate an association between erythrocyte damage and the severity of the splenotoxicity. Since one of the major functions of the spleen is to remove damaged erythrocytes, aniline-damaged erythrocytes would be expected to be scavenged by the spleen, especially by phagocytes. The deposition and subsequent breakdown of damaged erythrocytes will not only release aniline and/or its metabolites, but, most importantly, will also result in accumulation of iron in the spleen which may catalyze the generation of tissue-damaging oxygen radicals which can subsequently cause oxidation of biomolecules and result in lipid peroxidation and protein oxidation. It is also possible that during the scavenging of damaged erythrocytes, the splenic phagocytes, especially macrophages themselves, can become activated and release reactive oxygen species (ROS) which could further contribute to the oxidation of biomolecules leading to tissue injury. (A15460)

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

용도 및 제조

General Manufacturing InformationBenzenamine, hydrobromide (1:1): INACTIVE
응용 분야 · 1건

용도Organohalide based perovskites have emerged as an important class of material for solar cell applications. Our perovskites precursors are useful for synthesizing mixed cation or anion perovskites needed for the optimization of the band gap, carrier diffusion length and power conversion efficiency of perovskites based solar cells.

공급사69 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

관련 반응

1건
반응 기록 만들기
HRID 261305 반응식
HRID 261305생성물로uspto-grants-1979_08

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
Signs and SymptomsAniline-induced splenic toxicity is characterized by hemorrhage, capsular hyperplasia, fibrosis, and a variety of sarcomas in rats.
Carcinogen Classification3, not classifiable as to its carcinogenicity to humans. (L135)

안전 데이터

wgk
WGK 3
tsca
TSCA listed
HS 번호
2921.42.9000
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Carc. 2Eye Dam. 1Muta. 2Skin Sens. 1STOT RE 1
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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