4-Chloro-1,2-dinitrobenzene

HCID 33097CAS 610-40-2
Substructure searchFind similar structures

Basic information

Standard SMILES
O=[N+]([O-])c1ccc(Cl)cc1[N+](=O)[O-]
InChIKey
QVQSOXMXXFZAKU-UHFFFAOYSA-N
Molecular formula
C6H3ClN2O4
Average molar mass
202.55 g/mol
Monoisotopic mass
201.9781343

Names & identifiers

Preferred name
4-Chloro-1,2-dinitrobenzene
IUPAC
4-chloro-1,2-dinitrobenzene
English name
3,4-Dinitrochlorobenzene
Molecular formula
C6H3ClN2O4
Molecular weight
202.55

Names & synonyms

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
Show more names
Bendamustine 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

Database identifiers

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

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
91.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
13

Experimental & physicochemical properties

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

Physicochemical properties

Melting point
40 · 40-41 °C
Boiling point
16 °C · 16 °C (4 mmHg)
Density
1.687 g/mL · 1.687 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.587(lit.)
Flash point
230 °F · >230 °F
storage temp.
0 · 0-10°C

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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.
Packaging and LabellingDo not transport with food and feedstuffs. Marine pollutant.

Safety & protection

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

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 · 1 item

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.

Toxicology

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

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

MAY BE ABSORBED! Further see Inhalation.

Further see Inhalation.

Regulatory information

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

Safety data

wgk
3
tsca
TSCA listed
ridadr
UN 3441 6.1/PG 2
hs_code
2904990090
risk_code
23/24/25-33-50/53
Signal word
Danger

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 4-chloro-1,2-dinitro-: ACTIVE
Applications · 4 items

DescriptionSecurinine 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.

HistorySecurinine 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.

UsesThis compound is a sensitizer.

Uses3,4-Dinitrochlorobenzene is a useful reactant in organic synthesis.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

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Linked notes

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