Basic information
- CAS
603-12-3- Standard SMILES
O=C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]- InChIKey
HKKWSIQQYJTJLW-UHFFFAOYSA-N- Molecular formula
- C7H4N2O6
- Average molar mass
- 212.12 g/mol
- Monoisotopic mass
- 212.00693585
Names & identifiers
- Preferred name
- Benzoic acid, 2,6-dinitro-
- IUPAC
- 2,6-dinitrobenzoic acid
- English name
- 2,6-Dinitrobenzoic acid
- Molecular formula
- C7H4N2O6
- Molecular weight
- 212.12
Names & synonyms
2,6-Dinitrobenzoic acid603-12-3Benzoic acid, 2,6-dinitro-DTXSID30209049RefChem:326574DTXCID00131540MFCD00024255SCHEMBL1554602HKKWSIQQYJTJLW-UHFFFAOYSA-NAC6452SBB059408STK366688
Show more names
RARECHEM AL BO 2374
AKOS005443420AS-76779SY004739DB-053590CS-0454055ST50981579F774881
Database identifiers
- CAS
603-12-3- PubChem CID
- 119206
- DTXSID
DTXSID30209049- EC Number
- 109-700-1
- Nikkaji
- J134.821C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 202 · 202-206°C
- Boiling point
- 351.93 °C · 351.93°C (rough estimate)
- Density
- 1.7333 · 1.7333 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- pka
- 1 · pK1:1.14 (25°C)
- Water Solubility
- 16.1 g/L · 16.10g/L(temperature not stated)
- FDA UNII
- 8 I5F5V031E · 8I5F5V031E
Safety & regulation
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Chemistry & industry
Applications
Uses2,6-Dinitrobenzoic Acid is a urinary metabolite of nitrotoluenes.
Upstream & downstream products
Downstream products
Suppliers16 total
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.
Related reactions
13 records
Compound notes
Loading…