Basic information
- CAS
13684-28-1- Standard SMILES
COC(=O)c1ccc([N+](=O)[O-])cc1O- InChIKey
DODUOCYKSQVFSW-UHFFFAOYSA-N- Molecular formula
- C8H7NO5
- Average molar mass
- 197.14 g/mol
- Monoisotopic mass
- 197.03242232
Names & identifiers
- Preferred name
- Salicylic acid, 4-nitro-, methyl ester
- IUPAC
- methyl 2-hydroxy-4-nitrobenzoate
- English name
- METHYL 2-HYDROXY-4-NITROBENZOATE
- Molecular formula
- C8H7NO5
- Molecular weight
- 197.14
Names & synonyms
13684-28-1Salicylic acid, 4-nitro-, methyl esterDTXSID10159972RefChem:1098316DTXCID3082463methyl 2-hydroxy-4-nitrobenzoateMethyl 4-nitrosalicylateBenzoic acid, 2-hydroxy-4-nitro-, methyl esterMFCD11041295methyl 2-hydroxy-4-nitro-benzoateMethyl4-NitrosalicylateNSC165605
Show more names
4-Nitrosalicylic acid methyl esterBenzoic acid,2-hydroxy-4-nitro-, methyl ester
2-hydroxy-4-nitrobenzoic acid methyl esterSCHEMBL19117AKOS006307565NSC 165605NSC-165605Methyl 2-hydroxy-4-nitrobenzoate, 97%AC-29560AS-39607
Database identifiers
- CAS
13684-28-1- PubChem CID
- 139539
- DTXSID
DTXSID10159972- Nikkaji
- J2.229.632I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 101 · 101-102 °C
- Boiling point
- 324.5 · 324.5±32.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.08 · 8.08±0.19(Predicted)
- Appearance
- Light yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 260 · P260-P271-P280
- HS Code
- 2918999090 · 2918999090
Safety & regulation
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P260-P271-P280
Chemistry & industry
Suppliers31 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
常州捷展化工技术有限公司15861130028 · [email protected]
Related reactions
28 records
Compound notes
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