Basic information
- CAS
6968-22-5- Standard SMILES
Nc1cc(C(=O)O)ccc1[N+](=O)[O-]- InChIKey
LYCCVBLUKJRDOF-UHFFFAOYSA-N- Molecular formula
- C7H6N2O4
- Average molar mass
- 182.13 g/mol
- Monoisotopic mass
- 182.03275668
Names & identifiers
- Preferred name
- 3-Amino-4-nitrobenzoic acid
- IUPAC
- 3-amino-4-nitrobenzoic acid
- English name
- 3-Amino-4-nitrobenzoic acid
- Molecular formula
- C7H6N2O4
- Molecular weight
- 182.13
Names & synonyms
3-amino-4-nitrobenzoic acidDTXSID40281179RefChem:497311DTXCID90232333629-976-16968-22-5Benzoic acid, 3-amino-4-nitro-3-Amino-4-nitrobenzoicacidMFCD018062703-amino-4-nitro-benzoic acidNSC20672SCHEMBL1607853
Show more names
3-Amino-4-Nitrobenzoic3-Amino-4-nitrobenzoicaci4-NITRO-3-AMINOBENZOIC ACID2-AMino-4-carboxynitrobenzene
NSC-20672AKOS006242110s10735DS-17073AMY4745ALBB-037332SBB052809FA05743
Database identifiers
- CAS
6968-22-5- PubChem CID
- 228071
- DTXSID
DTXSID40281179- EC Number
- 629-976-1
- Nikkaji
- J81.308G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 298 °C · 298 °C
- Boiling point
- 449.9 · 449.9±35.0 °C(Predicted)
- Density
- 1.568 · 1.568±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- solid
- pka
- 3.58 · 3.58±0.10(Predicted)
- color
- Brown
- CAS DataBase Reference
- 6968 · 6968-22-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2921490090 · 2921490090
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers52 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
3 records
Compound notes
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