5-Hydroxy-2-nitrobenzoic acid

HCID 11882

Notes Reactions

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Basic information

CAS: 610-37-7
Standard SMILES: O=C(O)c1cc(O)ccc1[N+](=O)[O-]
InChIKey: BUHKQTKKZAXSMH-UHFFFAOYSA-N
Molecular formula: C7H5NO5
Average molar mass: 183.12 g/mol
Monoisotopic mass: 183.01677226

Names & identifiers

Preferred name: 5-Hydroxy-2-nitrobenzoic acid
IUPAC: 5-hydroxy-2-nitrobenzoic acid
English name: 5-Hydroxy-2-nitrobenzoic acid
Molecular formula: C7H5NO5
Molecular weight: 183.12

Names & synonyms

5-Hydroxy-2-nitrobenzoic acidBENZOIC ACID, 5-HYDROXY-2-NITRO-BRN 2107504DTXSID202098564-10-00-00338 (Beilstein Handbook Reference)RefChem:102766DTXCID70132347629-984-5BUHKQTKKZAXSMH-UHFFFAOYSA-N610-37-73-Carboxy-4-nitrophenolMFCD00017566

Show more names

RARECHEM AL BE 06795-Hydroxy-2-nitrobenzoic5-hydroxy-2-nitro-benzoicaci3-Hydroxy-6-nitro benzoic acid5-Hydroxy-2-nitrobenzoicAcid>Benzoic acid, 5-hydroxy-2-nitro-5-Hydroxy-2-nitrobenzoic acid, tech

AKOS009157631CS-W017066AC-3262H1321EN300-116557AO-801/41077445doi:10.14272/BUHKQTKKZAXSMH-UHFFFAOYSA-N.12-Nitro-5-hydroxybenzoic acid

Database identifiers

CAS: 610-37-7
PubChem CID: 11882
DTXSID: DTXSID20209856
UNII: G78T63TEY2
EC Number: 629-984-5
Nikkaji: J385.141I

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 103 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 223

Physicochemical properties

Melting point: 170 · 170-171°C
Boiling point: 455 · 455.0±40.0 °C(Predicted)
Density: 1.631 · 1.631
RTECS: 2528250 · DH2528250
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 2.06 · 2.06±0.25(Predicted)
color: White to Yellow to Green
CAS DataBase Reference: 610 · 610-37-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
Hazard Note: Irritant
HS Code: 29163990 · 29163990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (87.5%)

Safety data

hs_code: 29163990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses5-Hydroxy-2-nitrobenzoic acid inhibits the activity of wild type-bovine low Mr protein tyrosine phosphatase. The inhibition constant has been evaluated.