2-Chloro-4-nitrobenzyl alcohol

HCID 104147

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Basic information

CAS: 52301-88-9
Standard SMILES: O=[N+]([O-])c1ccc(CO)c(Cl)c1
InChIKey: XHIXVZHYFBOAJT-UHFFFAOYSA-N
Molecular formula: C7H6ClNO3
Average molar mass: 187.58 g/mol
Monoisotopic mass: 187.00362073

Names & identifiers

Preferred name: 2-Chloro-4-nitrobenzyl alcohol
IUPAC: (2-chloro-4-nitrophenyl)methanol
English name: 2-chloro-4-nitrobenzyl alcohol
Molecular formula: C7H6ClNO3
Molecular weight: 187.58

Names & synonyms

52301-88-92-Chloro-4-nitrobenzyl alcoholEINECS 257-828-2DTXSID10200332RefChem:469084DTXCID10122823257-828-2(2-chloro-4-nitrophenyl)methanol2-chloro-4-nitrobenzylalcoholMFCD09998267Benzenemethanol, 2-chloro-4-nitro-SCHEMBL844111

Show more names

2-Chloro-4-nitrobenzenemethanol

AR2792AMY42525SCHEMBL868877(2-chloro-4-nitro-phenyl)methanolAKOS01124490AKOS011244906CS-W003718FC53475

Database identifiers

CAS: 52301-88-9
PubChem CID: 104147
DTXSID: DTXSID10200332
EC Number: 257-828-2
Nikkaji: J295.631D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 171

Physicochemical properties

Melting point: 83 °C · 83 °C
Boiling point: 337 · 337.0±27.0 °C(Predicted)
Density: 1.476 · 1.476±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 13.2 · 13.20±0.10(Predicted)
Appearance: Light yellow to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2906290090 · 2906290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2906290090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501