1-클로로-3,4-디니트로벤젠

1-클로로-3,4-디니트로벤젠 · 1-클로로-3,4-다이나이트로벤젠 · 3,4-DINITROCHLOROBENZENE · Bendamustine Impurity 54 · 4-Chloro-1,2-dinitrobenzen · 3,4-Dinitrochlorobenzene>1-CHLORO-3,4-DINITROBENZENE · 4-CHLORO-1,2-DINITROBENZENE · 1,2-Dinitro-4-chlorobenzene

https://huagongshe.com/ko/chemical/33097

식별자 및 물리적 특성

CAS No.	610-40-2
분자식	C6H3ClN2O4
평균 분자량	202.55 g/mol
단동위원소 질량	201.9781343 g/mol
SMILES	O=[N+]([O-])c1ccc(Cl)cc1[N+](=O)[O-]
InChIKey	QVQSOXMXXFZAKU-UHFFFAOYSA-N
PubChem CID	33097
EC No.	210-223-7
DTXSID	DTXSID3060586
현지명	1-클로로-3,4-디니트로벤젠

화학 및 물리적 성질

XLogP	2.2
극성 표면적	91.6
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	0
무거운 원자 수	13
형식 전하	0
복잡도	224
밀도	Relative density (water = 1): 1.6871.687 g/mL at 25 °C(lit.)
인화점	>110 °C>230 °F
Decomposition	315 °C
녹는점	40-41 °C
Physical Description	YELLOW CRYSTALS.
Kovats Retention Index	1546.8
끓는 점	16 °C (4 mmHg)
굴절률	n20/D 1.587(lit.)
저장 조건	0-10°C
물리적 상태	기름진 액체
색상	옐로우 브라운 컬러
용해도	불용성
BRN	521564
NIST	Benzene, 4-chloro-1,2-dinitro-(610-40-2)
EPA	Benzene, 4-chloro-1,2-dinitro- (610-40-2)

화학적 성질

YELLOW-BROWN OILY LIQUID AFTER MELTING

안전 및 규제

GHS 분류	DangerH301 (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.
규제 정보	Benzene, 4-chloro-1,2-dinitro-: Does not have an individual approval but may be used under an appropriate group standard
화재 위험	Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
EC 분류	Symbol: T, NR: 23/24/25-33-50/53S: (1/2)-28-36/37-45-60-61Note: C
UN 분류	UN Hazard Class: 6.1UN Pack Group: II
Chemical Dangers	Decomposes on heating. This produces toxic and corrosive fumes. Reacts with strong oxidants and strong bases.
Packaging and Labelling	Do not transport with food and feedstuffs. Marine pollutant.
Hazard Classes and Categories	Acute Tox. 3 (100%)Acute Tox. 3 (97.8%)Acute Tox. 3 (91.1%)

용도

개요

Securinine 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.

역사

Securinine 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.

용도

3,4-Dinitrochlorobenzene is a useful reactant in organic synthesis.