1,3-Dichloro-2-nitrobenzene

HCID 11759
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Basic information

CAS
601-88-7
Standard SMILES
O=[N+]([O-])c1c(Cl)cccc1Cl
InChIKey
VITSNECNFNNVQB-UHFFFAOYSA-N
Molecular formula
C6H3Cl2NO2
Average molar mass
192 g/mol
Monoisotopic mass
190.9540837

Names & identifiers

Preferred name
1,3-Dichloro-2-nitrobenzene
IUPAC
1,3-dichloro-2-nitrobenzene
English name
2,6-Dichloronitrobenzene
Molecular formula
C6H3Cl2NO2
Molecular weight
192

Names & synonyms

1,3-Dichloro-2-nitrobenzene601-88-72,6-Dichloronitrobenzene1,3-Dichloro-2-nitro-benzeneBenzene, 1,3-dichloro-2-nitro-EINECS 210-009-3J43L7QJM9M2,6-DICHLORO-1-NITROBENZENEDTXSID00208847RefChem:72620DTXCID50131338210-009-3
Show more names
2,6-Dichloronitrobenezene1-Nitro-2,6-dichlorobenzene1,3-DICHLORO-3-NITROBENZENE1,3-Dichloro-2-nitrobenzene>TIANFUCHEM--High purity 2,6-Dichloronitrobenzene factory price
Benzene, 1,3-dichloronitro-MFCD004567952,6-dichloro-nitrobenzeneUNII-J43L7QJM9MSCHEMBL670917AKOS006221384CS-W007920DS-17028

Database identifiers

CAS
601-88-7
PubChem CID
11759
DTXSID
DTXSID00208847
UNII
J43L7QJM9M
EC Number
210-009-3
Nikkaji
J134.682B

Properties

Computed structural properties

XLogP
3
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure
LogP3.1 (calculated)
DensityRelative density (water = 1): 1.6
Boiling Pointat 1.1kPa: 130 °C
Melting Point72.5 °C
Vapor DensityRelative vapor density (air = 1): 6.6

Physicochemical properties

Melting point
71 °C · 71 °C
Boiling point
130 °C · 130 °C / 8mmHg
Density
1.603 · 1.6030
refractive index
1.5929 · 1.5929 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P262, P264, P270, P272, P273, P280, P301+P317, P302+P352, P316, P318, P321, P330, P333+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzene, 1,3-dichloro-2-nitro-

Status: Active Update: 08-07-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18028

Fire HazardsCombustible.
Chemical DangersDecomposes on heating. This produces toxic and corrosive fumes including nitrogen oxides and hydrogen chloride. Reacts with strong bases and strong oxidants.
Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

Safety & protection

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

Fresh air, rest.

Rinse and then wash skin with water and soap.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth.

Safe StorageSeparated from bases and strong oxidants.
Spillage Disposal · 1 item

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.

Eye PreventionWear safety spectacles.
Fire PreventionNO open flames.

Toxicology

Signs and Symptoms · 2 items

Cough.

Redness.

ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.

Safety data

ridadr
1578
hs_code
2904990090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
T
Hazard statements
H302+H312+H332-H315-H319

Chemistry & industry

Applications · 1 item

Uses1,3-Dichloro-2-nitrobenzene is an olfactory mucosa (OM) toxicants.Also, it is a starting material for 9-Chloro Quetiapine (C366040), which is an impurity of Quetiapine hemifumarate (Q510000), a dibenzothiazepine antipsychotic medication used in the treatment of schizophrenia.

Upstream & downstream products

Suppliers100 total

上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海策嵘生物科技有限公司[email protected]

Related reactions

25 records
New reaction record

Compound notes

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