CAS 612-25-9 2-Nitrobenzyl alcohol (HCID 11923)

Names & identifiers

Preferred name: 2-Nitrobenzyl alcohol
IUPAC: (2-nitrophenyl)methanol
English name: 2-Nitrobenzyl alcohol
Molecular formula: C7H7NO3
Molecular weight: 153.14

Names & synonyms

2-Nitrobenzyl alcohol612-25-9O-NITROBENZYL ALCOHOL2-NitrobenzenemethanolBenzyl alcohol, o-nitro-5M66390M78NSC-66512DTXSID40210101RefChem:477197DTXCID00132592210-302-6(2-Nitrophenyl)methanol

Show more names

oNBAIcRARECHEM AL BD 01862-Nitrobenzyalcoholo-nitro-benzylalcohoO-NITROPHENYLCARBINOLLABOTEST-BB LT01997457

Benzenemethanol, 2-nitro-Benzenemethanol, nitro-2-nitrobenzylalcoholMFCD00007186CCRIS 7967EINECS 210-302-6NSC 66512o-nitro benzylalcohol

Database identifiers

CAS: 612-25-9
PubChem CID: 11923
DTXSID: DTXSID40210101
ChEMBL: CHEMBL369485
UNII: 5M66390M78
EC Number: 210-302-6
Nikkaji: J28.537D

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 143

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

LogP1.24

Vapor Pressure0.0000858 [mmHg]

Physical DescriptionCream powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 69 · 69-72 °C(lit.)
Boiling point: 270 °C · 270 °C(lit.)
Density: 1.3386 · 1.3386 (rough estimate)
refractive index: 1.503 · 1.5030 (estimate)
Flash point: 168 °C/20mm · 168°C/20mm
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
pka: 13.77 · 13.77±0.10(Predicted)
form: Crystalline Powder
color: Beige to beige-brown
Water Solubility: 5000 mg/L · Soluble in water 5000 mg/L 20 deg Celsius.
Sensitive: Light Sensitive
BRN: 2046649 · 2046649
InChI: 1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2
InChIKey: BWRBVBFLFQKBPT-UHFFFAOYSA-N
SMILES: OCc1ccccc1[N+]([O-])=O
CAS DataBase Reference: 612 · 612-25-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 5 M66390M78 · 5M66390M78
NIST Chemistry Reference: 2 · Benzenemethanol, 2-nitro-(612-25-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi,C,F
Risk Statements: 11 · 11-34
Safety Statements: 22 · 22-24/25-45-36/37/39-26-16
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
RTECS: 657050 · DP0657050
Hazard Note: Irritant
HS Code: 29062900 · 29062900
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzenemethanol, 2-nitro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Nitrobenzene. See Benzyl alcohol.

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
rtecs: DP0657050
ridadr: UN 2811 6.1/PG 3
hs_code: 29062900
risk_code: 11-34
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,C,F
hazard_note: Irritant
safety_code: 22-24/25-45-36/37/39-26-16
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 2 items

Uses2-Nitrobenzyl alcohol is a useful research chemical.

UsesThe o-nitrobenzyl group (o-NB) is utilized frequently in polymer and materials science. It covers the use of based cross-linkers for photodegradable hydrogels, o-NB side chain functionalization in (block) copolymers, o-NB side chain functionalization for thin film patterning, o-NB for self-assembled monolayers, photo cleavable block copolymers, and photo cleavable bioconjugates.