CAS 503315-74-0 3-Fluoro-4-nitrobenzyl alcohol (HCID 2774658)

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Basic information

CAS: 503315-74-0
Standard SMILES: O=[N+]([O-])c1ccc(CO)cc1F
InChIKey: FEMLPDPJKINFGA-UHFFFAOYSA-N
Molecular formula: C7H6FNO3
Average molar mass: 171.13 g/mol
Monoisotopic mass: 171.03317122

Names & identifiers

Preferred name: 3-Fluoro-4-nitrobenzyl alcohol
IUPAC: (3-fluoro-4-nitrophenyl)methanol
English name: 3-Fluoro-4-nitrobenzyl alcohol 99%
Molecular formula: C7H6FNO3
Molecular weight: 171.13

Names & synonyms

3-Fluoro-4-nitrobenzyl alcoholRefChem:501799640-245-6(3-fluoro-4-nitrophenyl)methanol503315-74-0(3-Fluoro-4-nitro-phenyl)-methanolBenzenemethanol, 3-fluoro-4-nitro-MFCD030942363-Fluoro-4-nitro-benzenemethanol3-Fluoro-4-nitrobenzylalcohol99%SY239161(3-fluoro-4-nitro-phenyl)methanol

Show more names

Structure(3-Fluoro-4-nitrophenyl)3-Fluoro-4-nitrobenzenemethanol3-Fluoro-4-nitrobenzylalcohol98%3-Fluoro-4-nitrobenzyl alcohol 99%3-Fluoro-4-nitrobenzyl alcohol 99%3-Fluoro-4-nitrobenzyl alcohol, 96% (Cu

SCHEMBL571701SCHEMBL169589963-fluoro 4-nitro benzyl alcoholDTXSID50379157FEMLPDPJKINFGA-UHFFFAOYSA-NSBB088480(3-fluoro-4-nitrophenyl)methan-1-ol(3-Fluoro-4-nitrophenyl)methanol, 2-Fluoro-4-(hydroxymethyl)nitrobenzene

Database identifiers

CAS: 503315-74-0
PubChem CID: 2774658
DTXSID: DTXSID50379157
EC Number: 640-245-6

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 171

Physicochemical properties

Boiling point: 328.6 · 328.6±27.0 °C(Predicted)
Density: 1.434 · 1.434
storage temp.: Sealed in dry,Room Temperature
form: Solid
pka: 13.27 · 13.27±0.10(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 302 · H302-H361
Precautionary statements: 201 · P201-P202-P264-P270-P281-P301+P312-P308+P313-P330-P405-P501
HS Code: 2906290090 · 2906290090

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)

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%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2906290090
Signal word: Warning
Symbol(GHS): GHS07,GHS08
Hazard statements: H302-H361
Precautionary statements: P201-P202-P264-P270-P281-P301+P312-P308+P313-P330-P405-P501