1,3-Dichloro-4,6-dinitrobenzene

HCID 77286CAS 3698-83-7

Basic information

Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1Cl
InChIKey
ZPXDNSYFDIHPOJ-UHFFFAOYSA-N
Molecular formula
C6H2Cl2N2O4
Average molar mass
236.99 g/mol
Monoisotopic mass
235.9391619

Names & identifiers

Preferred name
1,3-Dichloro-4,6-dinitrobenzene
IUPAC
1,5-dichloro-2,4-dinitrobenzene
English name
1,3-Dichloro-4,6-dinitrobenzene
Molecular formula
C6H2Cl2N2O4
Molecular weight
237

Names & synonyms

1,5-Dichloro-2,4-dinitrobenzene1,3-Dichloro-4,6-dinitrobenzene3698-83-7Benzene, 1,5-dichloro-2,4-dinitro-2,4-Dichloro-1,5-dinitrobenzene4,6-Dichloro-1,3-dinitrobenzeneUNII-6ENC7C8ZR0EINECS 223-027-16ENC7C8ZR0NSC 28971AI3-28912NSC-28971
Show more names
LABOTEST-BB LT00848199Chlorzoxazone Impurity 331,5-dinitro-2,4-dichlorobenzene1,5-dichloro-2,4-dinitro-benzen1,5-Dichloro-2,4-dinitrobenzene>Benzene, 1,5-dichloro-2,4-dinitro-
DTXSID6022210Benzene, 1,3-dichloro-4,6-dinitro-2,6-DICHLORO-3,5-DINITROBENZENE4,6-DINITRO-1,3-DICHLOROBENZENERefChem:72622DTXCID902210ZPXDNSYFDIHPOJ-UHFFFAOYSA-N1,3,-Dichloro-4,6-dinitrobenzene

Database identifiers

CAS
3698-83-7
PubChem CID
77286
DTXSID
DTXSID6022210
UNII
6ENC7C8ZR0
EC Number
223-027-1
Nikkaji
J205.612G

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
91.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
14

Physicochemical properties

Melting point
101 · 101-104 °C(lit.)
Boiling point
337.6 · 337.6±37.0 °C(Predicted)
Density
1.729 · 1.729±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
soluble in Toluene
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (10.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (13%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (13%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (13%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (97.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (13%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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

Hazard Classes and CategoriesAcute Tox. 4 (13%);Acute Tox. 4 (10.9%);Skin Irrit. 2 (13%);Eye Irrit. 2A (13%);Acute Tox. 4 (13%);STOT SE 3 (13%);Aquatic Acute 1 (97.8%);Aquatic Chronic 1 (13%)

Safety data

PPE
Eyeshields, Gloves
wgk
3
tsca
TSCA listed
ridadr
UN 3077 9/PG 3
hs_code
29049090
risk_code
50

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,5-dichloro-2,4-dinitro-: ACTIVE

Applications

Uses1,5-Dichloro-2,4-dinitrobenzene is used as pharmaceutical intermediate.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

Related reactions

38 records

Linked notes

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