Basic information
- Standard SMILES
O=[N+]([O-])c1cccc(CO)c1- InChIKey
CWNPOQFCIIFQDM-UHFFFAOYSA-N- Molecular formula
- C7H7NO3
- Average molar mass
- 153.14 g/mol
Overview
3-nitrobenzyl alcohol is a C-nitro compound.
Names & identifiers
- Preferred name
- 3-Nitrobenzyl alcohol
- IUPAC
- (3-nitrophenyl)methanol
- English name
- 3-Nitrobenzyl alcohol-OD
- Molecular formula
- C7H7NO3
- Molecular weight
- 153.14
Names & synonyms
3-Nitrobenzyl alcohol619-25-0m-Nitrobenzyl alcoholBenzenemethanol, 3-nitro-3-NitrobenzenemethanolBenzyl alcohol, m-nitro-DTXSID0060698F829X990IVNSC-5388RefChem:504489DTXCID1043170210-588-2
Show more names
3-Nitrobenzyl alcohol-OD
(3-Nitrophenyl)methanol3-nitrobenzylalcoholMFCD00007273BRN 2044769(3-Nitro-phenyl)-methanolM-NITROPHENYLMETHANOLNITROBENZYL ALCOHOL, 3-M-(HYDROXYMETHYL)NITROBENZENE
Database identifiers
- CAS
117897-59-3- ChEBI
CHEBI:191016- UNII
- F829X990IV
- EC Number
- 210-588-2
- Nikkaji
- J28.536F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 66.1 Ų
- 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)
LogP1.21
Vapor Pressure0.0000858 [mmHg]
Physical DescriptionLiquid; mp = 30-32 deg C; [Sigma-Aldrich MSDS]
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (28.6%): 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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationBenzenemethanol, 3-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (28.6%)
Chemistry & industry
Uses & manufacturing
UsesSynthetic Polymer MALDI Matrix Compounds
General Manufacturing InformationBenzenemethanol, 3-nitro-: ACTIVE
Suppliers1 total
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Related reactions
0 records
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Linked notes
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