3-Hydroxy-4-nitrobenzoic acid

HCID 69265CAS 619-14-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc([N+](=O)[O-])c(O)c1
InChIKey
XLDLRRGZWIEEHT-UHFFFAOYSA-N
Molecular formula
C7H5NO5
Average molar mass
183.12 g/mol
Monoisotopic mass
183.01677226

Names & identifiers

Preferred name
3-Hydroxy-4-nitrobenzoic acid
IUPAC
3-hydroxy-4-nitrobenzoic acid
English name
3-Hydroxy-4-nitrobenzoic acid
Molecular formula
C7H5NO5
Molecular weight
183.12

Names & synonyms

3-Hydroxy-4-nitrobenzoic acid619-14-7Benzoic acid, 3-hydroxy-4-nitro-4-Nitro-3-hydroxybenzoic acid3-Carboxy-6-nitrophenolSSB8FKU365EINECS 210-580-9NSC 46823NSC-46823DTXSID20210922RefChem:94171DTXCID50133413
Show more names
3H 4N BAC7H5NO5RARECHEM AL BE 0673Tafamidis Impurity 14-nitro-3-oxidobenzoate3-Hydroxy-4-nitrobenzoic3-Hydroxyl-4-nitrobenzoic
210-580-9InChI=1/C7H5NO5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11XLDLRRGZWIEEHT-UHFFFAOYSA-N3-Hydroxy-4-nitro-benzoic acidMFCD00007110NSC46823UNII-SSB8FKU3653-hydroxy4nitrobenzoic acid

Database identifiers

CAS
619-14-7
PubChem CID
69265
DTXSID
DTXSID20210922
UNII
SSB8FKU365
EC Number
210-580-9
Nikkaji
J95.686D

Properties

Computed structural properties

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

Experimental & physicochemical properties

LogP1.98

Physicochemical properties

Melting point
229 · 229-231 °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.
Inert atmosphere,Room Temperature
solubility
1.08 g/l · 1.08g/l (calculated)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (15.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 63 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzoic acid, 3-hydroxy-4-nitro-

Status: Active Update: 27-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26644

Hazard Classes and CategoriesAcute Tox. 4 (15.9%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29182990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

Uses3-Hydroxy-4-nitrobenzoic acid is a compound that is capable of inhibiting chloroplast development in linseed and oat seedlings. 3-Hydroxy-4-nitrobenzoic acid also exhibits inhibitory effects on Ras proteins, making them potentially useful compounds in treating cancer.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东银晟医药科技有限公司18865947357

Related reactions

59 records
New reaction record

Linked notes

Loading…