Basic information
- CAS
1019-52-9- Standard SMILES
O=C(O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
GBSWIDSKAJFWMF-UHFFFAOYSA-N- Molecular formula
- C7H4N2O7
- Average molar mass
- 228.12 g/mol
- Monoisotopic mass
- 228.00185047
Names & identifiers
- Preferred name
- 3,5-Dinitro-4-hydroxybenzoic acid
- IUPAC
- 4-hydroxy-3,5-dinitrobenzoic acid
- English name
- 3,5-DINITRO-4-HYDROXYBENZOIC ACID
- Molecular formula
- C7H4N2O7
- Molecular weight
- 228.12
Names & synonyms
4-Hydroxy-3,5-dinitrobenzoic acid1019-52-93,5-Dinitro-4-hydroxybenzoic acidBenzoic acid, 4-hydroxy-3,5-dinitro-8H7CH6XVL8EINECS 213-814-8DTXSID30144325RefChem:487060DTXCID6066816213-814-841430-25-5MFCD00017000
Show more names
AKOS BB-92884-Carboxy-2,5-dinitrophenol3,5-Dinitro-4-hydroxybenzonic Acid4-HYDROXY-3 5-DINITROBENZOIC ACID 95%3,5-Dinitro-4-hydroxybenzoic acid, 98+%4-Hydroxy-3,5-dinitrobenzoic acid, 98+%3,5-Dinitro-4-Hydroxy Benzoic Acid (4-Hydroxy-3,5-Dinitrobenzoic Acid)
3 5-Dinitro-4-Hydroxybenzoic Acid4-hydroxy-3,5-dinitro-benzoic acidBumetanide Impurity 134UNII-8H7CH6XVL8SCHEMBL503443SBB028554STK3708204-Hydroxy-3,5-dinitrobenzoic acid #
Database identifiers
- CAS
1019-52-9- PubChem CID
- 70552
- DTXSID
DTXSID30144325- UNII
- 8H7CH6XVL8
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 245 °C · 245 °C (dec.)(lit.)
- Boiling point
- 369.91 °C · 369.91°C (rough estimate)
- Density
- 1.7914 · 1.7914 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- Solid
- pka
- 2.02 · 2.02±0.10(Predicted)
- color
- Light Yellow to Yellow
- CAS DataBase Reference
- 1019 · 1019-52-9
- FDA UNII
- 8 H7CH6XVL8 · 8H7CH6XVL8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3,5-Dinitro-4-hydroxybenzoic Acid is used in preparation of benzamide derivatives as corticotropin releasing factor receptor antagonists.
Upstream & downstream products
Downstream products
Suppliers15 total
武汉誉祥医药科技有限公司13971275651 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
Related reactions
1 records
Compound notes
Loading…