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Home> Encyclopedia > Hot Product Listed B   > Benzenemethanol,2-nitro-
612-25-9 structure

Benzenemethanol,2-nitro-

Iupac Name:(2-nitrophenyl)methanol
CAS No.:612-25-9
EINECS(EC#): 210-302-6
Molecular Weight:153.13538
Molecular Formula:C7H7NO3 (isomer)
Names and Identifiers
Synonyms

2-Nitrobenzenemethanol Benzylalcohol, o-nitro- (6CI,7CI,8CI) NSC 66512 o-(Hydroxymethyl)nitrobenzene o-Nitrobenzyl alcohol

Inchi
InChI=1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2
InChkey
BWRBVBFLFQKBPT-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C(=C1)CO)[N+](=O)[O-]
Properties
Appearance
brown crystalline powder
Density
1.33
Melting Point
69-73℃
Boiling Point
270℃
Refractive Index
1.597
Flash Point
131.1 °C
Solubility
soluble in water
Stability
Stable under normal temperatures and pressures.
HS Code
29062900
Storage temp
Keep container closed when not in use. Store in a cool, dry area away from incompatible substances.
Safety and Handling
Hazard Codes
Xi
Risk Statements
R11
Safety Statements
S24/25
HazardClass
6.1
Safety
Mutation data reported. Decomposes exothermically at 201°C. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS and ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..
PackingGroup
I; II; III
Transport
UN 2811 6.1/PG 3
Specification

The 2-NITROBENZYL ALCOHOL , with the register number 612-25-9, is also known to us as rarechem al bd 0186;o-nitrobenzyl alcohol;o-nitrophenylcarbinol;labotest-bb lt01997457;(2-nitrophenyl)methanol;2-nitrobenzyl alcohol;2-nitro-benzenemethano;2-nitrobenzenemethanol .

The physical properties of this kind of chemcial are as following: (1)#H bond acceptors:  4  ; (2)#H bond donors:  1  ; (3)#Freely Rotating Bonds:  3  ; (4)Polar Surface Area:  55.05 ; (5)Index of Refraction:  1.597  ; (6)Molar Refractivity:  39.24 cm ; (7)Molar Volume:  115 cm3  ; (8)Polarizability:  15.55 ×10-24 cm3  ; (9)Surface Tension:  57 dyne/cm  ; (10)Density:  1.33 g/cm3  ; (11)Flash Point:  131.1 °C  ; (12)Enthalpy of Vaporization:  53.68 kJ/mol  ; (13)Boiling Point:  270 °C at 760 mmHg  ; (14)Vapour Pressure:  0.00346 mmHg at 25°C .

It is a kind of white to light yellow crystal powder. As for its usage, it has various products categories: alcohols;c7 to c8;oxygen compounds. Being an irritant chemicals, it may cause inflammation to the skin or other mucous membranes. Besides, it is highly flammable and may catch fire in contact with air, only needing brief contact with an ignition source, for it has a very low flash point or evolve highly flammable gases in contact with water. What's more, it is corrosive as it may destroy living tissue on contact. Beside, its raw materials are including sodium carbonate, Bromine, 2-Nitrotoluene, and so on.

So while dealing with it, you should be very cautious. First, do not breathe dust; Secondly, avoid contacting with skin and eyes and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). What's more, you should wear suitable protective clothing, gloves and eye/face protection; If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice; And remember to keep away from sources of ignition - No smoking. If you need more safety information, you could refer to the WGK Germany  3.
 
In addition, you could refer to the following data information to get the molecular structure:
SMILES:[O-][N+](=O)c1ccccc1CO
InChI:InChI=1/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2
InChIKey:BWRBVBFLFQKBPT-UHFFFAOYAQ
 

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:153.13538g/mol
  • Molecular Formula:C7H7NO3
  • XLogP3-AA:1.2
  • Exact Mass:153.042593
  • Monoisotopic Mass:153.042593
  • Complexity:143
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:66
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
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  • Fax:86-571-88938652
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-531-88110457
  • Fax:86-531-88113608
  • Tel:86-312-18103315327
  • Fax:86-312-18103315327
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
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  • Tel:86-21-61723543
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