2,4-Dinitrobenzoic acid

HCID 11880
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Basic information

CAS
610-30-0
Standard SMILES
O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
ZIIGSRYPZWDGBT-UHFFFAOYSA-N
Molecular formula
C7H4N2O6
Average molar mass
212.12 g/mol
Monoisotopic mass
212.00693585

Names & identifiers

Preferred name
2,4-Dinitrobenzoic acid
IUPAC
2,4-dinitrobenzoic acid
English name
2,4-DINITROBENZOIC ACID
Molecular formula
C7H4N2O6
Molecular weight
212.12

Names & synonyms

2,4-DINITROBENZOIC ACID610-30-0Benzoic acid, 2,4-dinitro-L3FBD88RA8NSC-243713DTXSID3060584RefChem:82572DTXCID7042930210-219-5630-196-9MFCD000170062.4-dinitrobenzoic acid
Show more names
2,4-Dinitroben2,4-DinitrobenzoicRARECHEM AL BO 14132,4-DINITROBENZOIC ALABOTEST-BB LT00455741Bifeprunox Impurity 663,4-Dinitrobenzonitride
2,4-Dinitropbenzoic acidCCRIS 1766EINECS 210-219-5NSC 243713BRN 0658650NSC243713UNII-L3FBD88RA84-09-00-01239 (Beilstein Handbook Reference)

Database identifiers

CAS
610-30-0
PubChem CID
11880
DTXSID
DTXSID3060584
UNII
L3FBD88RA8
EC Number
210-219-5、630-196-9
Nikkaji
J1.262.244I、J134.823J

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
129 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
15

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity
Ionization Efficiency · 6 items

Negative

0.07

10.5

Agilent XCT

Electrospray ionization

ammonia (10nM)

Physicochemical properties

Melting point
176 · 176-180 °C (lit.)
Boiling point
351.93 °C · 351.93°C (rough estimate)
Density
1.688 · 1.688
refractive index
1.53 · 1.5300 (estimate)
storage temp.
30 °C · Store below +30°C.
solubility
50 mg/mL, · dioxane: 50 mg/mL, clear

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Skin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
DG9140500
hs_code
29163990
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 2,4-dinitro-: INACTIVE
Applications · 2 items

Uses2,4-Dinitrobenzoic acid was used in the spectrophotometric determination of diazepam in pure samples and in its pharmaceutical preparations. It was employed as chromophore probe for analysis of perfluorinated carboxylic acids in water by capillary zone electrophoresis. It can be used to produce 2,4-dinitro-benzoyl chloride.

Uses2,4-Dinitrobenzoic acid can be used as a reactant: In decarboxylative C-N cross-coupling reactions. To synthesize Zwitterionic azaspirocyclic hydantoins by reacting with various carbodiimides via in situ intramolecular dearomatization reaction. To prepare 1-(2,4-dinitrophenyl)ethanone by condensation with dimethyl malonate and subsequent decarboxylation reaction.It can also be used in the spectrophotometric determination of diazepam in pure samples and in its pharmaceutical preparations. In capillary zone electrophoresis, it can be employed as chromophore probe for the analysis of perfluorinated carboxylic acids in water.

Upstream & downstream products

Suppliers93 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

30 records
New reaction record

Compound notes

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