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1-클로로-3,4-디니트로벤젠

4-Chloro-1,2-dinitrobenzene

HCID 33097
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
610-40-2
표준 SMILES
O=[N+]([O-])c1ccc(Cl)cc1[N+](=O)[O-]
InChIKey
QVQSOXMXXFZAKU-UHFFFAOYSA-N
분자식
C6H3ClN2O4
평균 분자량
202.55 g/mol
단동위원소 질량
201.9781343

이름 및 식별자

우선 이름
4-Chloro-1,2-dinitrobenzene
IUPAC
4-chloro-1,2-dinitrobenzene
현지명
1-클로로-3,4-디니트로벤젠
영어명
3,4-Dinitrochlorobenzene
분자식
C6H3ClN2O4
분자량
202.55

이름 및 동의어

610-40-24-Chloro-1,2-dinitrobenzene1-Chloro-3,4-dinitrobenzeneBenzene, 4-chloro-1,2-dinitro-Z29B1F274E1,2-dinitro-4-chlorobenzeneEINECS 210-223-7NSC 119343NSC-119343DTXSID3060586RefChem:520704DTXCID7042932
이름 더 보기
1-클로로-3,4-디니트로벤젠1-클로로-3,4-다이나이트로벤젠Bendamustine Impurity 544-Chloro-1,2-dinitrobenzen3,4-Dinitrochlorobenzene>1-CHLORO-3,4-DINITROBENZENE1,2-Dinitro-5-chlorobenzene1-Chloro-3,4-dinitrobenzene, 92%+
210-223-73,4-DinitrochlorobenzeneMFCD000072124-chloro-1,2-dinitro-benzene1-Chloro-3.4-dinitrobenzeneSCHEMBL1524058AKOS015889665Q2651784

데이터베이스 식별자

CAS
610-40-2
PubChem CID
33097
DTXSID
DTXSID3060586
UNII
Z29B1F274E
EC Number
210-223-7
Nikkaji
J95.614G

물성

구조 계산 물성보충 중

XLogP
2.2
극성 표면적
91.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
13
형식 전하
0
복잡도
224

실험 및 물리화학적 성질

DensityRelative density (water = 1): 1.687
Flash Point>110 °C
Decomposition315 °C
Melting Point40-41 °C
Physical DescriptionYELLOW CRYSTALS.
Kovats Retention Index1546.8

물리화학적 성질

녹는점
40 · 40-41 °C
끓는 점
16 °C · 16 °C (4 mmHg)
밀도
1.687 g/mL · 1.687 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.587(lit.)
인화점
230 °F · >230 °F
저장 조건
0 · 0-10°C
물리적 상태
기름진 액체
색상
옐로우 브라운 컬러
수용성
불용성
BRN
521564 · 521564
NIST

안전 및 규제

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

GHS 분류

GHS Classification · 5건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (97.8%): Toxic in contact with skin [Danger Acute toxicity, dermal];H331 (91.1%): Toxic if inhaled [Danger Acute toxicity, inhalation];H373 (97.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (97.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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.

유해성 정보

Regulatory InformationBenzene, 4-chloro-1,2-dinitro-: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
EC ClassificationSymbol: T, N; R: 23/24/25-33-50/53; S: (1/2)-28-36/37-45-60-61; Note: C
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: II
Chemical DangersDecomposes on heating. This produces toxic and corrosive fumes. Reacts with strong oxidants and strong bases.

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 4-chloro-1,2-dinitro-: ACTIVE
응용 분야 · 3건

개요Securinine is derived from the leaf of Securinega suffruticosa Rehd., which was first separated by V.I.Murav’eva in 1956 . Securinega suffruticosa Rehd., a kind of subshrub plant, is widely distributed in temperate and subtropical regions . It has strong adaptability and can be planted in most parts of China. Moreover, it is rich in natural resources. Securinega suffruticosa Rehd. is a folk medicine whose root is the main component, with the effects of activating circulation, spleen, and stomach to treat rheumatism waist pain, limb numbness, infant malnutrition, and other diseases. The roots, stems, leaves, flowers, and skin of Securinega suffruticosa Rehd. contain alkaloids, in which securinine is the main ingredient.

역사Securinine was first isolated by a Soviet scholar from the Wusuli region, but its chemical structure was separated and finally determined by Chinese scholars from local sources . The main structural feature is a tetracyclic compound containing an indolizine, pyrrole elidine, or quinolizine ring and an α, β-unsaturated pentahydrin ring whose basic structural skeleton type is as shown in what follows .Owing to the complexity of the chemical reaction of securinine, reports on its chemical reactivity and structural modification have been relatively scarce since securinine was reported on in 1956. However, the research on chemical total synthesis and biological activities of securinine has made a certain amount of progress.Securinine has a rigid molecular structure containing four rings and three chiral centers, which makes synthesis difficult. From 1974 to 1978, three research groups from Japan, the USA, and Canada studied the biosynthesis of securinine by feeding animals with isotope-labeled S. suffruticosa.

용도3,4-Dinitrochlorobenzene is a useful reactant in organic synthesis.

상·하류 제품 정보

하류 제품

5-Chloro-2-nitrodiphenylamine

관련 반응

39건
반응 기록 만들기
HRID 3971 반응식
HRID 3971반응물로uspto-grants-1988_02
HRID 140083 반응식
HRID 140083반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 311045 반응식
HRID 311045반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 412696 반응식
HRID 412696반응물로uspto-grants-2003_05
HRID 463553 반응식
HRID 463553반응물로uspto-grants-1985_05
HRID 463560 반응식
HRID 463560반응물로uspto-grants-1985_05
HRID 483909 반응식
HRID 483909반응물로uspto-grants-1993_07
HRID 662224 반응식
HRID 662224반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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4 · Benzene, 4-chloro-1,2-dinitro-(610-40-2)
EPA
4 · Benzene, 4-chloro-1,2-dinitro- (610-40-2)

화학적 성질

YELLOW-BROWN OILY LIQUID AFTER MELTING

Packaging and LabellingDo not transport with food and feedstuffs. Marine pollutant.
Hazard Classes and CategoriesAcute Tox. 3 (100%);Acute Tox. 3 (97.8%);Acute Tox. 3 (91.1%);STOT RE 2 (97.8%);Aquatic Acute 1 (100%);Aquatic Chronic 1 (97.8%)

안전 및 보호

Fire FightingUse water spray, powder, foam, carbon dioxide.
First Aid Measures · 4건

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention .

Safe StorageSeparated from strong oxidants, strong bases and food and feedstuffs. Well closed. Keep in a well-ventilated room.
Spillage Disposal · 1건

Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations. Personal protection: chemical protection suit including self-contained breathing apparatus.

Eye PreventionWear face shield.
Fire PreventionNO open flames.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust or breathing protection.
Effects of Long Term ExposureRepeated or prolonged contact may cause skin sensitization. The substance may have effects on the central nervous system, cardiovascular system and blood. This may result in the formation of methaemoglobin.

독성 정보

Exposure RoutesThe substance can be absorbed into the body by inhalation and through the skin.
Signs and Symptoms · 3건

Blue lips, fingernails and skin. Headache. Dizziness. Nausea. Confusion. Laboured breathing. Convulsions. Unconsciousness.

MAY BE ABSORBED! Further see Inhalation.

Further see Inhalation.

규제 정보

Regulatory InformationBenzene, 4-chloro-1,2-dinitro-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3441 6.1/PG 2
HS 번호
2904990090
risk_code
23/24/25-33-50/53
hazard_code
T,N
safety_code
28-36/37-45-60-61-28A
포장분류
II
위험 등급
6.1
3-Chloro-4-fluoronitrobenzene
p-[[p-(phenylazo)phenyl]azo]phenol
(5-클로로-2-니트로페닐)하이드라진