4-Nitrosalicylic acid

HCID 69266
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Basic information

CAS
619-19-2
Standard SMILES
O=C(O)c1ccc([N+](=O)[O-])cc1O
InChIKey
UKWUOTZGXIZAJC-UHFFFAOYSA-N
Molecular formula
C7H5NO5
Average molar mass
183.12 g/mol
Monoisotopic mass
183.01677226

Names & identifiers

Preferred name
4-Nitrosalicylic acid
IUPAC
2-hydroxy-4-nitrobenzoic acid
English name
4-Nitrosalicylic acid
Molecular formula
C7H5NO5
Molecular weight
183.12

Names & synonyms

4-Nitrosalicylic acid2-Hydroxy-4-nitrobenzoic acidBenzoic acid, 2-hydroxy-4-nitro-NSC 882EINECS 210-584-0BRN 2213722DTXSID50606954-10-00-00231 (Beilstein Handbook Reference)RefChem:100153DTXCID2043167210-584-0UKWUOTZGXIZAJC-UHFFFAOYSA-N
Show more names
4-nitro-salicylicaciP-NITRO SALICYLIC ACID4-NitrosalicylicAcid>2-Hydroxy-nitrobenzoic acidMetoclopramide Impurity 1032-hydroxy-4-nitro-benzoicaci
619-19-24-Nitro-2-hydroxybenzoic acidP-NITROSALICYLIC ACIDSalicylic acid, 4-nitro-MFCD000715054-Nitro-salicylsaure2-hydroxy-4-nitro-benzoic acidF8R8J54RAF

Database identifiers

CAS
619-19-2
PubChem CID
69266
DTXSID
DTXSID5060695
ChEMBL
CHEMBL4062583
UNII
F8R8J54RAF
EC Number
210-584-0
Nikkaji
J62.748H

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
235 · 235-239 °C (lit.)
Boiling point
316.77 °C · 316.77°C (rough estimate)
Density
1.6074 · 1.6074 (rough estimate)
refractive index
1.628 · 1.6280 (estimate)
storage temp.
Sealed in dry,Room Temperature
pka
2.11 · 2.11±0.13(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Warning

H302 (95.5%): 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)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (95.5%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
VO5300100
hs_code
29182900
Toxicity
LD50 orl-mus: 650 mg/kg ZNTFA2 6B,183,51

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 2-hydroxy-4-nitro-: ACTIVE
Applications · 3 items

Uses4-Nitrosalicylic Acid is a metabolite in the degradation pathway of 2-chloro-4-nitrobenzoic acid by acinetobacter strain RKJ12.

UsesThese Secondary Standards are qualified as Certified Reference Materials. These are suitable for use in several analytical applications including but not limited to pharma release testing, pharma method development for qualitative and quantitative analyses, food and beverage quality control testing, and other calibration requirements.

General Description2-Hydroxy-4-nitrobenzoic acid is metabolized to 2,4-dihydroxybenzoic acid (2,4-DHBA) by a mono-oxygenase with the concomitant release of chloride and nitrite ions.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

28 records
New reaction record

Compound notes

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