Basic information
- CAS
1028-91-7- Standard SMILES
O=NN(Cc1ccccc1)c1ccccc1C(=O)O- InChIKey
VXZOBNZOEBYBFR-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- 2-(Nitroso(phenylmethyl)amino)benzoic acid
- IUPAC
- 2-[benzyl(nitroso)amino]benzoic acid
- English name
- 2-[nitroso(phenylmethyl)amino]benzoic acid
- Molecular formula
- C14H12N2O3
- Molecular weight
- 256.26
Names & synonyms
2-[NITROSO(PHENYLMETHYL)AMINO]BENZOIC ACID2-(Nitroso(phenylmethyl)amino)benzoic acidJZG9R76UUZN-Benzyl-N-nitrosoanthranilic acidEINECS 213-844-1Benzoic acid, 2-(nitroso(phenylmethyl)amino)-DTXSID30145519ANTHRANILIC ACID, N-BENZYL-N-NITROSO-RefChem:84837DTXCID60680101028-91-72-[benzyl(nitroso)amino]benzoic acid
Show more names
2-(benzyl(nitroso)amino)benzoic acidBentydamine Nitroso Impurity 9Benzoic acid, 2-[nitroso(phenylmethyl)amino]-2-[nitroso(phenylmethyl)amino]benzoic acid(Mixture of isomers)2-[nitroso(phenylmethyl)amino]benzoic acidQ: What is 2-[nitroso(phenylmethyl)amino]benzoic acid Q: What is the CAS Number of 2-[nitroso(phenylmethyl)amino]benzoic acid
N-Nitroso-N-benzyl anthranilic acidUNII-JZG9R76UUZVXZOBNZOEBYBFR-UHFFFAOYSA-NNS00023188
Database identifiers
- CAS
1028-91-7
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 120 °C · 120 °C (decomp)
- Boiling point
- 487 · 487.0±45.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 3.19 · 3.19±0.36(Predicted)
- FDA UNII
- 9 R76UUZ · JZG9R76UUZ
Chemistry & industry
Applications
Uses2-[Nitroso(phenylmethyl)amino]benzoic Acid is a useful intermediate for organic synthesis.
Suppliers9 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
常州汉腾化工有限公司0519-86626038 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
湖北摩科生物科技有限公司17320513646 · [email protected]
河南科弘生物科技有限公司0371-55969461 18638736641 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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