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1-클로로-2,4-디니트로나프탈렌

1-Chloro-2,4-dinitronaphthalene

HCID 16987
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2401-85-6
표준 SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1Cl
InChIKey
SKKUAUZTZZRYPW-UHFFFAOYSA-N
분자식
C10H5ClN2O4
평균 분자량
252.61 g/mol
단동위원소 질량
251.9937843

이름 및 식별자

우선 이름
1-Chloro-2,4-dinitronaphthalene
IUPAC
1-chloro-2,4-dinitronaphthalene
현지명
1-클로로-2,4-디니트로나프탈렌
영어명
1-Chloro-2,4-dinitronaphthalene
분자식
C10H5ClN2O4
분자량
252.61

이름 및 동의어

1-CHLORO-2,4-DINITRONAPHTHALENENaphthalene, 1-chloro-2,4-dinitro-Chlorodinitronaphthalene2,4-Dinitro-1-naphthyl chloride2,4-Dinitro-1-chloro-naphthaleneHSDB 5530UNII-8T00EW178RBRN 2219453AI3-525038T00EW178R1-Chloro-2,4-dinitrophthaleneDTXSID1062382
이름 더 보기
1-클로로-2,4-디니트로나프탈렌chlorodinitronaphthalenes
4-05-00-01681 (Beilstein Handbook Reference)2,4-DINITROCHLORONAPHTHALENE2,4-DINITRO-1-CHLORONAPHTHALENE2,4-DINITRO-1-CHLORO-NAPHTHALENE [HSDB]RefChem:753322,4Dinitro1chloronaphthalene2,4Dinitro1naphthyl chlorideNaphthalene, 1chloro2,4dinitro

데이터베이스 식별자

CAS
2401-85-6
PubChem CID
16987
DTXSID
DTXSID1062382
UNII
8T00EW178R
Nikkaji
J53.713F

물성

구조 계산 물성

XLogP
3.5
극성 표면적
91.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
17
형식 전하
0
복잡도
327

실험 및 물리화학적 성질

Color/FormYellow needles
DecompositionWhen heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides/.
Melting Point146.5 °C
Physical DescriptionYellow solid; [HSDB]

물리화학적 성질

녹는점
146.5 °C · 146.5°C
끓는 점
404.3 · 404.3±30.0 °C(Predicted)
밀도
1.6226 · 1.6226 (rough estimate)
굴절률
1.6 · 1.6000 (estimate)
수용성
1 mg/L · 1mg/L(25℃)
EPA
1 · Naphthalene, 1-chloro-2,4-dinitro- (2401-85-6)

안전 및 규제

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

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.

독성 정보

Non-Human Toxicity Excerpts · 2건

/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Carcinogenicity of 35 compounds was evaluated in young female rats 9 months after the oral administration of 10 equal doses at 3-day intervals at the maximally tolerated level. The following compounds caused breast cancer: 2-anthramine, benzidine, 7,12-dimethylbenz(a)anthracene... a weaker response was elicited by 1-chloro-2,4-dinitronaphthalene.

/LABORATORY ANIMALS: Chronic Exposure or Carcinogenicity/ Cancer of the breast was observed in rats administered a single oral maximum tolerated dose of 1-chloro-2,4-dinitronaphthalene. Carcinoma of the lung was seen in 1 rat fed dinitrochloronaphthalene.

Antidote and Emergency Treatment · 3건

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 shock 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 ... . /Naphthalene and Related Compounds/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious. Start an IV with lactated Ringer's. Adequate hydration must be maintained to prevent renal failure secondary to myoglobinuria unless signs of cerebral or pulmonary edema are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Administer 1% solution methylene blue if patient is symptomatic with severe hypoxia, cyanosis, and cardiac compromise not responding to oxygen. ... . Treat seizures with diazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Naphthalene and related compounds/

Maintain an open air way and assist ventilation if necessary. Treat coma and seizures if they occur. Treat hemolysis and resulting hemoglobinuria if they occur by intravenous hydration and urinary alkalinization. There is no specific antidote. Administer activated charcoal if available. Do not induce vomiting, because of the risk of lethargy and seizures. Do not administer milk, fats or oils, which may enhance absorption /Naphthalene/

안전 데이터

tsca
TSCA listed
유해 물질 데이터
2401-85-6(Hazardous Substances Data)

화학 및 산업

용도 및 제조

General Manufacturing InformationNaphthalene, 1-chloro-2,4-dinitro-: INACTIVE

상·하류 제품 정보

하류 제품

1-(디메틸아미노)-2,4-디니트로나프탈렌

공급사1 곳

CHEMICAL LAND21[email protected]

관련 반응

5건
반응 기록 만들기
HRID 431729 반응식
HRID 431729반응물로uspto-grants-2003_12
HRID 726530 반응식
HRID 726530반응물로uspto-grants-1998_01
HRID 847734 반응식
HRID 847734반응물로uspto-grants-1981_10
HRID 2052343 반응식
HRID 2052343반응물로uspto-grants-1980_01
HRID 2131472 반응식
HRID 2131472반응물로Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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