CAS 60463-12-9 3-(Hydroxymethyl)-4-nitrophenol (HCID 108946)

Names & identifiers

Preferred name: 3-(Hydroxymethyl)-4-nitrophenol
IUPAC: 3-(hydroxymethyl)-4-nitrophenol
English name: 5-Hydroxy-2-nitrobenzyl alcohol
Molecular formula: C7H7NO4
Molecular weight: 169.13

Names & synonyms

3-(hydroxymethyl)-4-nitrophenol60463-12-9DTXSID10975871RefChem:495286DTXCID801403263627-563-05-Hydroxy-2-nitrobenzyl alcohol(5-Hydroxy-2-nitrophenyl)methanolBenzenemethanol, 5-hydroxy-2-nitro-MFCD001343083-Hydroxymethyl-4-nitrophenol5-Hydroxy-2-nitrobenzylalcohol

Show more names

RARECHEM AL BD 06792-Nitro-5-hydroxybenzyl alcohol5-Hydroxy-2-nitrobenzenemethanol2-Nitro-5-hydroxybenzenemethanolBenzenemethanol,5-hydroxy-2-nitro-5-Hydroxy-2-nitrobenzyl alcohol 97%5-HYDROXY-2-NITROBENZYL ALCOHOL ISO 9001：2015 REACH

3-(hydroxymethyl)-4-nitro-phenol3-hydroxymethyl-4-nitro-phenolSCHEMBL1589671SCHEMBL13858882SCHEMBL29901077ODWVFIWBWJXDMT-UHFFFAOYSA-NKCA46312AKOS015912421

Database identifiers

CAS: 60463-12-9
PubChem CID: 108946
DTXSID: DTXSID10975871
EC Number: 627-563-0
Nikkaji: J385.144C

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 86.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 111 · 111-115 °C (lit.)
Boiling point: 398.6 · 398.6±32.0 °C(Predicted)
Density: 1.489 · 1.489±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 6.99 · 6.99±0.10(Predicted)
Appearance: Light brown to gray Solid
InChI: 1S/C7H7NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,9-10H,4H2
InChIKey: ODWVFIWBWJXDMT-UHFFFAOYSA-N
SMILES: OCc1cc(O)ccc1[N+]([O-])=O
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-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses5-Hydroxy-2-nitrobenzyl alcohol may be used in the synthesis of 5-(2′-(dimethylamino)ethoxy)-2-nitrobenzyl alcohol. It may be used as difunctional photo-responsive initiator in the synthesis of thermo-responsive and photo-cleavable amphiphilic block copolymers containing photodegradable linkers as junction points between hydrophilic and hydrophobic chains.