2-Nitrobenzyl alcohol

Names

[ CAS No. ]:
612-25-9

[ Name ]:
2-Nitrobenzyl alcohol

[Synonym ]:
(2-Nitrophenyl)methanol
WNR B1Q
EINECS 210-302-6
Benzenemethanol, 2-nitro-
MFCD00007186

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
270.0±0.0 °C at 760 mmHg

[ Melting Point ]:
69-72 °C(lit.)

[ Molecular Formula ]:
C₇H₇NO₃

[ Molecular Weight ]:
153.135

[ Flash Point ]:
131.1±8.8 °C

[ Exact Mass ]:
153.042587

[ PSA ]:
66.05000

[ LogP ]:
0.76

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.598

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DP0657050

CHEMICAL NAME :: Benzyl alcohol, o-nitro-

CAS REGISTRY NUMBER :: 612-25-9

BEILSTEIN REFERENCE NO. :: 2046649

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C7-H7-N-O3

MOLECULAR WEIGHT :: 153.15

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Morphological transformation

TEST SYSTEM :: Rodent - hamster Embryo

DOSE/DURATION :: 200 umol/L

REFERENCE :: CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 52,203,1990

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R11

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
UN 2811 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
DP0657050

[ Packaging Group ]:
I; II; III

[ Hazard Class ]:
6.1

[ HS Code ]:
29062900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

trimethyl-[(2-nitrophenyl)methoxy]silane
2-Nitrobenzaldehyde
o-nitrobenzyloxycarbonyl chloride
2-Nitrobenzoic acid
2-Nitrobenzyl chloride
METHYL 2-NITROBENZOATE
1-((methoxymethoxy)methyl)-2-nitrobenzene
Benzyl alcohol
2-Nitrobenzoyl chloride

DownStream

(2-nitrophenyl)methyl benzoate
METHYL 2-NITROBENZOATE
2-Nitrobenzylbromide
2-nitrobenzyl acetate
2-Nitrobenzyl p-toluenesulfonate
2-(2-NITROPHENYL)-1H-BENZO[D]IMIDAZOLE
2-Nitrobenzoic acid
2-Nitrobenzaldehyde
1-(iodomethyl)-2-nitrobenzene
2-Aminobenzophenone

Customs

[ HS Code ]: 2906299090

[ Summary ]:
2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles

Kinetics of conjugation and oxidation of nitrobenzyl alcohols by rat hepatic enzymes.

Biochem. Pharmacol. 34(23) , 4163-8, (1985)

Previous work has suggested that quantitative differences in the in vitro and in vivo metabolism of mononitrotoluene isomers are a result of differences in the hepatic conjugation and oxidation of the...

Efficient Biomimetic Hydroxylation Catalysis with a Bis(pyrazolyl)imidazolylmethane Copper Peroxide Complex.

Chemistry 21 , 17639-49, (2015)

Bis(pyrazolyl)methane ligands are excellent components of model complexes used to investigate the activity of the enzyme tyrosinase. Combining the N donors 3-tert-butylpyrazole and 1-methylimidazole r...

Photochemical reaction mechanisms of 2-nitrobenzyl compounds: 2-nitrobenzyl alcohols form 2-nitroso hydrates by dual proton transfer.

Photochem. Photobiol. Sci. 4(1) , 33-42, (2005)

Irradiation of 2-nitrobenzyl alcohol (1, R = H) and 1-(2-nitrophenyl)ethanol (1, R = Me) in various solvents yields 2-nitroso benzaldehyde (4, R = H) and 2-nitroso acetophenone (4 R = Me), respectivel...