Basic information
- CAS
59320-14-8- Standard SMILES
O=C(O)c1ccc(NCCO)c([N+](=O)[O-])c1- InChIKey
KRTQQHYYZBCHED-UHFFFAOYSA-N- Molecular formula
- C9H10N2O5
- Average molar mass
- 226.19 g/mol
- Monoisotopic mass
- 226.05897142
Names & identifiers
- Preferred name
- 4-[(2-Hydroxyethyl)amino]-3-nitrobenzoic acid
- IUPAC
- 4-(2-hydroxyethylamino)-3-nitrobenzoic acid
- English name
- 4-(2-Hydroxy-ethylamino)-3-nitro-benzoic acid
- Molecular formula
- C9H10N2O5
- Molecular weight
- 226.19
Names & synonyms
59320-14-84-[(2-hydroxyethyl)amino]-3-nitrobenzoic acid4-(2-Hydroxy-ethylamino)-3-nitro-benzoic acid4-(2-hydroxyethylamino)-3-nitrobenzoic acid4-((2-Hydroxyethyl)amino)-3-nitrobenzoic acidMFCD00227244Cambridge id 6672704Oprea1_822498SCHEMBL1066375DTXSID80387765KRTQQHYYZBCHED-UHFFFAOYSA-NSTK378147
Show more names
Benzoic acid, 4-[(2-hydroxyethyl)amino]-3-nitro-
AKOS000507339CS-0220027ST500049344-((2-Hydroxyethyl)amino)-3-nitrobenzoicacid4-(2-hydroxyethylamino)-3-nitro-benzoic acidEN300-05586G35486AB00115386-01
Database identifiers
- CAS
59320-14-8- PubChem CID
- 2909623
- DTXSID
DTXSID80387765- EC Number
- 184-126-2
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 209 °C · 209 °C(Solv: water (7732-18-5))
- Boiling point
- 485.3 · 485.3±45.0 °C(Predicted)
- Density
- 1.535 · 1.535±0.06 g/cm3(Predicted)
- pka
- 4.02 · 4.02±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
Ryan Scientific, Inc.[email protected]
CHEMSWORTH[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
ENAMINE-CHI[email protected]
Related reactions
2 records
Compound notes
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