3-Nitrophenol

Modify Date: 2026-06-30 20:08:31

3-Nitrophenol Structure
3-Nitrophenol structure
 Common Name 3-Nitrophenol
CAS Number 554-84-7 Molecular Weight 139.109
Density 1.4±0.1 g/cm3 Boiling Point 277.6±0.0 °C at 760 mmHg
Molecular Formula C6H5NO3 Melting Point 89-95 °C
MSDS Chinese USA Flash Point 126.9±11.1 °C
Symbol GHS05 GHS07
GHS05, GHS07		 Signal Word Danger

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 3-nitrophenol
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.4±0.1 g/cm3
Boiling Point 277.6±0.0 °C at 760 mmHg
Melting Point 89-95 °C
Molecular Formula C6H5NO3
Molecular Weight 139.109
Flash Point 126.9±11.1 °C
Exact Mass 139.026947
PSA 66.05000
LogP 1.93
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.612
InChIKey RTZZCYNQPHTPPL-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1cccc(O)c1
Water Solubility 13.5 g/L (25 ºC)

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SM1925000
CHEMICAL NAME :
Phenol, m-nitro-
CAS REGISTRY NUMBER :
554-84-7
LAST UPDATED :
199710
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C6-H5-N-O3
MOLECULAR WEIGHT :
139.12
WISWESSER LINE NOTATION :
WNR CQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
328 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Behavioral - coma
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1070 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
70 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
83 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Behavioral - coma
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
160 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - muscle weakness Behavioral - ataxia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
543 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
DNA repair
TEST SYSTEM :
Bacteria - Bacillus subtilis
DOSE/DURATION :
500 ug/disc
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 170,11,1986 *** REVIEWS *** TOXICOLOGY REVIEW MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 47,75,1978

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS05 GHS07
GHS05, GHS07
Signal Word Danger
Hazard Statements H302-H315-H318
Precautionary Statements P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22;R33;R36/37/38
Safety Phrases S26-S36/37-S45-S36/37/39-S22
RIDADR UN 1663 6.1/PG 3
WGK Germany 3
RTECS SM1925000
Packaging Group III
Hazard Class 6.1
HS Code 2908999090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2908999090
Summary 2908999090 halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or phenol-alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 Articles28

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

cIEF for rapid pKa determination of small molecules: a proof of concept.

Eur. J. Pharm. Sci. 63 , 14-21, (2014)

A capillary isoelectric focusing (cIEF) method was developed for the determination of the ionization constants (pKa) of small molecules. Two approaches used to decrease the electroosmotic flow (EOF) w...

Effect of nitro substituent on electrochemical oxidation of phenols at boron-doped diamond anodes.

Chemosphere 78(9) , 1093-9, (2010)

In order to investigate nitro-substitutent's effect on degradation of phenols at boron-doped diamond (BDD) anodes, cyclic voltammetries of three nitrophenol isomers: 2-nitrophenol (2NP), 3-nitrophenol...

Adsorption analysis of nitrophenol isomers on silver nanostructures by surface-enhanced spectroscopy.

J. Colloid. Interface Sci. 342(2) , 311-9, (2010)

SEIRA, SERS, TPD and DFT were used to study 4-nitrophenol (4NP), 3-nitrophenol (3NP) and 2-nitrophenol (2NP) adsorption on nanoscale silver films/powder. SERS and DFT demonstrated that 4NP adsorbed as...

 3-NitrophenolBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: Dissociation constant was determined at pH 7.2
Source: ChEMBL
Target: N/A
External Id: CHEMBL632407
Name: Dissociation constant (pKa)
Source: ChEMBL
Target: N/A
External Id: CHEMBL875369
Name: Octanol-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3256050
Name: Oleyl alcohol-water partition coefficient, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL3256053
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Total 341, Current Page 1 of 35
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

m-Nitrophenol
m-Nitrophenol [UN1663] [Poison]
3-Hydroxynitrobenzene
Phenol,m-nitro
m-Nitrofenol [Czech]
3-nitro-phenol
EINECS 209-073-5
Phenol,3-nitro
m-Nitrofenol
MFCD00007240
m-Hydroxynitrobenzene
3-Nitrophenol
meta-nitrophenol

 3-Nitrophenol | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular weight of 3-nitrophenol?
A: Molecular weight of 3-nitrophenol is 139.109.
Q: What is the LogP of 3-nitrophenol?
A: LogP of 3-nitrophenol is 1.93.
Q: What English synonyms does 3-nitrophenol have?
A: English synonyms of 3-nitrophenol: m-Nitrophenol, m-Nitrophenol [UN1663] [Poison], 3-Hydroxynitrobenzene, Phenol,m-nitro, m-Nitrofenol [Czech], 3-nitro-phenol, EINECS 209-073-5, Phenol,3-nitro, m-Nitrofenol, MFCD00007240, m-Hydroxynitrobenzene, 3-Nitrophenol, meta-nitrophenol.
Q: How is the water solubility of 3-nitrophenol?
A: Water solubility of 3-nitrophenol: 13.5 g/L (25 ºC).
Q: What is the polar surface area (PSA) of 3-nitrophenol?
A: Polar surface area (PSA) of 3-nitrophenol is 66.05000.
Q: What are the upstream materials of 3-nitrophenol?
A: Related upstream materials(CAS) of 3-nitrophenol: 13331-27-6;32578-25-9;645-00-1;585-79-5;374588-08-6;621-52-3;915394-31-9;24318-00-1;58621-55-9;28659-20-3.
Q: What is the SMILES notation of 3-nitrophenol?
A: SMILES notation of 3-nitrophenol is O=[N+]([O-])c1cccc(O)c1.
Q: What are the downstream products of 3-nitrophenol?
A: Related downstream products(CAS) of 3-nitrophenol: 105785-61-3;107622-64-0;10603-61-9;591-27-5;111974-60-8;53967-73-0;38902-87-3;3743-28-0;3899-90-9;580-20-1.
Q: What is the melting point of 3-nitrophenol?
A: Melting point of 3-nitrophenol is 89-95 °C.
Q: What is the molecular formula of 3-nitrophenol?
A: Molecular formula of 3-nitrophenol is C6H5NO3.

 3-Nitrophenolfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
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Chemsrc provides 3-Nitrophenol(CAS#:554-84-7) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of 3-Nitrophenol are included as well.>> amp version: 3-Nitrophenol

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