Basic information
- CAS
19336-84-6- Standard SMILES
O=C(O)c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1- InChIKey
YXVQPOZILUGWQW-UHFFFAOYSA-N- Molecular formula
- C14H10N2O5
- Average molar mass
- 286.24 g/mol
- Monoisotopic mass
- 286.05897142
Names & identifiers
- Preferred name
- Mls000757200
- IUPAC
- 2-[(3-nitrophenyl)carbamoyl]benzoic acid
- English name
- N-(3-Nitro-phenyl)-phthalaMic acid
- Molecular formula
- C14H10N2O5
- Molecular weight
- 286.24
Names & synonyms
19336-84-6MLS000757200DTXSID00325144RefChem:819040DTXCID802762612-[(3-nitrophenyl)carbamoyl]benzoic acid2-((3-Nitrophenyl)carbamoyl)benzoic acid2-(3-Nitrophenylcarbamoyl)benzoic acidNSC408860Oprea1_168730CBDivE_002769Phthalanilic acid, 3'-nitro-
Show more names
3'-NITROPHTHALANILIC ACID3'-NITROPHTHALANILIC ACIDN-(3-Nitro-phenyl)-phthalaMic acid2-(3-NitrophenylcarbaMoyl)benzoic acid, 97%Benzoic acid, 2-[[(3-nitrophenyl)amino]carbonyl]-
CHEMBL1408916SCHEMBL15740330HMS2884D21AKOS002819739NSC-4088602-((3-Nitrophenyl)carbamoyl)benzoicacid2-[(3-nitroanilino)carbonyl]benzoic acidSMR000529040
Database identifiers
- CAS
19336-84-6- PubChem CID
- 349243
- DTXSID
DTXSID00325144- ChEMBL
CHEMBL1408916- EC Number
- 666-166-7
- Nikkaji
- J996.158E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Melting point
- 206 °C · 206 °C
- Boiling point
- 418.1 · 418.1±30.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- pka
- 3.41 · 3.41±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H400
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P273-P391-P501
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]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H319-H400
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Suppliers5 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…