tert-butyl N-(4-fluoro-3-formylpyridin-2-yl)carbamate

HCID 89670239

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Basic information

CAS: 1446091-81-1
Standard SMILES: CC(C)(C)OC(=O)Nc1nccc(F)c1C=O
InChIKey: XXPVTUVMTHAICX-UHFFFAOYSA-N
Molecular formula: C11H13FN2O3
Average molar mass: 240.23 g/mol

Names & identifiers

Preferred name: tert-butyl N-(4-fluoro-3-formylpyridin-2-yl)carbamate
IUPAC: tert-butyl N-(4-fluoro-3-formyl-2-pyridinyl)carbamate
English name: Carbamic acid, N-?(4-?fluoro-?3-?formyl-?2-?pyridinyl)?-?, 1,?1-?dimethylethyl ester
Molecular formula: C11H13FN2O3
Molecular weight: 240.23

Names & synonyms

1446091-81-1tert-butyl N-(4-fluoro-3-formylpyridin-2-yl)carbamateRefChem:896137833-215-0tert-butyl (4-fluoro-3-formylpyridin-2-yl)carbamateMFCD283685122-BOC-AMINO-4-FLUORONICOTINALDEHYDESCHEMBL15085418XXPVTUVMTHAICX-UHFFFAOYSA-N2-(Boc-amino)-4-fluoronicotinaldehydeAT24465SY478983

Show more names

(4-Fluoro-3-formyl-pyridin-2-yl)-carbamic acid tert-butyl esterCarbamic acid, N-(4-fluoro-3-formyl-2-pyridinyl)-, 1,1-dimethylethyl ester

DB-109616EN300-6498588F819601t-Butyl (4-fluoro-3-formylpyridin-2-yl)carbamatetert-butyl N-(4-fluoro-3-formyl-2-pyridyl)carbamateZ3247513386

Database identifiers

CAS: 1446091-81-1
PubChem CID: 89670239
EC Number: 833-215-0

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 68.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 291

Physicochemical properties

Boiling point: 303.4 · 303.4±42.0 °C(Predicted)
Density: 1.28 · 1.280±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 11.26 · 11.26±0.70(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P