3-Nitrophenol

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Names

[ CAS No. ]:
554-84-7

[ Name ]:
3-Nitrophenol

[Synonym ]:
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
Phenol, 3-nitro-
meta-nitrophenol

Chemical & Physical Properties

[ 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

[ Water Solubility ]:
13.5 g/L (25 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

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

[ Symbol ]:

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

3-Nitrophenylboronic acid
3-nitrophenyl trifluoromethanesulfonate
1-Iodo-3-nitrobenzene
3-Bromonitrobenzene
1-but-3-enyloxy-3-nitrobenzene
3-Nitrophenetole
Carbamic acid, N,N-diethyl-, 3-nitrophenyl ester
1-(BENZYLOXY)-3-NITROBENZENE
1-nitro-3-prop-2-enoxy-benzene
2-(3-nitrophenoxy)oxane

DownStream

methyl 4-[N-hydroxy-3-(quinolin-2-ylmethoxy)anilino]-4-oxobutanoate
1-(3-methoxyphenoxy)-3-nitrobenzene
3-(hydroxyamino)phenol
3-Aminophenol
1,1,1-trifluoro-N-[3-(quinolin-2-ylmethoxy)phenyl]methanesulfonamide
2-Methoxy-6-nitrobenzoic acid
2,4-Dichloro-3-nitrophenol
M-HYDROXYBENZANILIDE
3-Nitrophenyl p-Toluenesulfonate
Quinolin-7-ol

Customs

[ 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%

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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...

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

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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...