Basic information
- CAS
27693-70-5- Standard SMILES
O=C(O)c1ccccc1Nc1cccc([N+](=O)[O-])c1- InChIKey
NBJRFLIUYUFOIR-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- Anthranilic acid, N-m-nitrophenyl-
- IUPAC
- 2-(3-nitroanilino)benzoic acid
- English name
- N-(3-Nitrophenyl)anthanilic acid
- Molecular formula
- C13H10N2O4
- Molecular weight
- 258.23
Names & synonyms
27693-70-52-(3-nitroanilino)benzoic acidN-(3-Nitrophenyl)Anthranilic AcidAnthranilic acid, N-(m-nitrophenyl)-N-m-Nitrophenylanthranilic acidAnthranilic acid, N-m-nitrophenyl-2-((3-Nitrophenyl)amino)benzoic acid3VAU2E4P9KNSC 509690BRN 2750166Benzoic acid, 2-((3-nitrophenyl)amino)-NSC-509690
Show more names
N-(3-Nitrophenyl)anthanilic acidN-M-NITROPHENYLANTHRANILIC ACID(WXG02444)
DTXSID801820552-[(3-nitrophenyl)amino]benzoic acidBenzoic acid, 2-[(3-nitrophenyl)amino]-2-{3-nitroanilino}benzoic acidRefChem:558237DTXCID90104546Benzoic acid, 2-((3-nitrophenyl)amino)-(9CI)620-657-2
Database identifiers
- CAS
27693-70-5- PubChem CID
- 101403
- DTXSID
DTXSID80182055- ChEMBL
CHEMBL2043300- UNII
- 3VAU2E4P9K
- EC Number
- 620-657-2
- Nikkaji
- J55.258E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Experimental & physicochemical properties
LogP4.42
Physicochemical properties
- Melting point
- 216 °C · 216 °C
- Boiling point
- 442 · 442.0±30.0 °C(Predicted)
- Density
- 1.435 · 1.435±0.06 g/cm3(Predicted)
- pka
- 3.62 · 3.62±0.36(Predicted)
- FDA UNII
- 3 VAU2E4P9K · 3VAU2E4P9K
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H319-H302-H335-H315-H332
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- Hazard statements
- H312-H319-H302-H335-H315-H332
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312
Chemistry & industry
Suppliers5 total
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
苏州宸瑞生物科技有限公司17625585511 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
1 records
Compound notes
Loading…